LAMMPS (3 Mar 2020) using 1 OpenMP thread(s) per MPI task Reading data file ... orthogonal box = (23.2598 23.2598 23.2598) to (69.7402 69.7402 69.7402) 2 by 3 by 4 MPI processor grid reading atoms ... 7221 atoms Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0 special bond factors coul: 0 0 0 0 = max # of 1-2 neighbors 0 = max # of 1-3 neighbors 0 = max # of 1-4 neighbors 1 = max # of special neighbors special bonds CPU = 0.275403 secs read_data CPU = 0.397603 secs 2000 atoms in group precursors 4400 atoms in group freeO 821 atoms in group freeH 7221 atoms in group active WARNING: Changed valency_val to valency_boc for F (../reaxc_ffield.cpp:315) WARNING: Changed valency_val to valency_boc for X (../reaxc_ffield.cpp:315) Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 12 ghost atom cutoff = 12 binsize = 6, bins = 8 8 8 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair reax/c, perpetual attributes: half, newton off, ghost pair build: half/bin/newtoff/ghost stencil: half/ghost/bin/3d/newtoff bin: standard (2) fix qeq/reax, perpetual, copy from (1) attributes: half, newton off, ghost pair build: copy stencil: none bin: none Setting up Verlet run ... Unit style : real Current step : 0 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.8 | 176.2 | 176.6 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 0 0 0 -298.81022 -298.81022 46.48031 46.48031 46.48031 100416.95 -994046.17 -994046.17 100 4523.4104 4523.4104 7829.9689 7829.9689 46.985544 46.985544 46.985544 103727.23 -988104.73 -890754.38 200 4650.1315 4650.1315 634.29661 634.29661 47.246995 47.246995 47.246995 105468.45 -987908.53 -887830.96 300 4569.2535 4569.2535 -1658.4517 -1658.4517 47.363064 47.363064 47.363064 106247.66 -987749.49 -889412.54 400 4534.3005 4534.3005 2783.3745 2783.3745 47.391028 47.391028 47.391028 106435.96 -987923.27 -890338.55 500 4561.8964 4561.8964 750.93253 750.93253 47.439129 47.439129 47.439129 106760.38 -988117.23 -889938.62 600 4601.7063 4601.7063 -597.53872 -597.53872 47.482741 47.482741 47.482741 107055.1 -988217.08 -889181.7 700 4537.5457 4537.5457 1514.0931 1514.0931 47.494968 47.494968 47.494968 107137.82 -988100.51 -890445.96 800 4497.3294 4497.3294 225.01815 225.01815 47.522056 47.522056 47.522056 107321.24 -988180.57 -891391.52 900 4537.5096 4537.5096 947.9521 947.9521 47.533446 47.533446 47.533446 107398.43 -988181.61 -890527.83 1000 4577.396 4577.396 -8.1408241 -8.1408241 47.5543 47.5543 47.5543 107539.84 -988120.59 -889608.39 1100 4494.232 4494.232 -367.33246 -367.33246 47.578079 47.578079 47.578079 107701.24 -988092.72 -891370.33 1200 4591.4926 4591.4926 470.04019 470.04019 47.586442 47.586442 47.586442 107758.05 -988363.98 -889548.41 1300 4517.0291 4517.0291 163.12387 163.12387 47.59849 47.59849 47.59849 107839.91 -988240.16 -891027.15 1400 4510.348 4510.348 1399.0097 1399.0097 47.611677 47.611677 47.611677 107929.57 -988193.53 -891124.3 1500 4626.5925 4626.5925 229.34834 229.34834 47.629403 47.629403 47.629403 108050.16 -988037.84 -888466.86 1600 4533.7845 4533.7845 -505.68972 -505.68972 47.637638 47.637638 47.637638 108106.21 -988183.27 -890609.66 1700 4436.7075 4436.7075 -309.5391 -309.5391 47.647222 47.647222 47.647222 108171.47 -988147.19 -892662.82 1800 4548.2578 4548.2578 1255.091 1255.091 47.656608 47.656608 47.656608 108235.42 -988160.42 -890275.32 1900 4554.7177 4554.7177 -629.74234 -629.74234 47.67425 47.67425 47.67425 108355.66 -988073.15 -890049.03 2000 4553.2189 4553.2189 1222.1361 1222.1361 47.678776 47.678776 47.678776 108386.52 -988157.06 -890165.19 2100 4533.1737 4533.1737 -1144.4943 -1144.4943 47.686147 47.686147 47.686147 108436.8 -988229.68 -890669.21 2200 4466.9207 4466.9207 -570.29676 -570.29676 47.698994 47.698994 47.698994 108524.46 -988034.39 -891899.79 2300 4579.7521 4579.7521 867.82579 867.82579 47.705196 47.705196 47.705196 108566.81 -988182.49 -889619.59 2400 4555.0617 4555.0617 -968.63775 -968.63775 47.717946 47.717946 47.717946 108653.88 -988229.32 -890197.8 2500 4555.2239 4555.2239 865.10833 865.10833 47.72115 47.72115 47.72115 108675.77 -988177.67 -890142.66 2600 4581.2414 4581.2414 269.78985 269.78985 47.735022 47.735022 47.735022 108770.57 -988069.26 -889474.31 2700 4559.5418 4559.5418 811.51102 811.51102 47.736783 47.736783 47.736783 108782.6 -988262.74 -890134.79 2800 4579.1974 4579.1974 -753.96325 -753.96325 47.747852 47.747852 47.747852 108858.29 -988066.81 -889515.85 2900 4519.8985 4519.8985 -823.14838 -823.14838 47.757814 47.757814 47.757814 108926.44 -988041.85 -890767.08 3000 4596.0159 4596.0159 2997.1099 2997.1099 47.75111 47.75111 47.75111 108880.58 -988180.6 -889267.68 3100 4531.8703 4531.8703 -1058.3692 -1058.3692 47.768836 47.768836 47.768836 109001.87 -987962.61 -890430.2 3200 4499.8497 4499.8497 579.20618 579.20618 47.771947 47.771947 47.771947 109023.18 -987943.22 -891099.93 3300 4602.3058 4602.3058 2090.624 2090.624 47.772035 47.772035 47.772035 109023.78 -988050.39 -889002.1 3400 4550.9197 4550.9197 -1420.6936 -1420.6936 47.787375 47.787375 47.787375 109128.84 -988145.95 -890203.57 3500 4520.9164 4520.9164 -561.5713 -561.5713 47.786134 47.786134 47.786134 109120.33 -987865.82 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4473.4304 -1718.9479 -1718.9479 47.837517 47.837517 47.837517 109472.72 -987974.97 -891700.27 4600 4534.2242 4534.2242 685.9487 685.9487 47.835526 47.835526 47.835526 109459.05 -987870.59 -890287.52 4700 4518.3054 4518.3054 -526.67514 -526.67514 47.842478 47.842478 47.842478 109506.77 -987959.67 -890719.2 4800 4577.1353 4577.1353 997.53828 997.53828 47.842744 47.842744 47.842744 109508.61 -987981.22 -889474.64 4900 4559.4651 4559.4651 45.853864 45.853864 47.855344 47.855344 47.855344 109595.15 -987677.31 -889551.02 5000 4513.8414 4513.8414 1019.575 1019.575 47.847962 47.847962 47.847962 109544.44 -987999.2 -890854.79 5100 4562.045 4562.045 -1013.1854 -1013.1854 47.859224 47.859224 47.859224 109621.81 -987886.88 -889705.07 5200 4464.2978 4464.2978 -851.6908 -851.6908 47.861337 47.861337 47.861337 109636.33 -987918.41 -891840.26 5300 4530.5871 4530.5871 59.49785 59.49785 47.867894 47.867894 47.867894 109681.4 -987903.21 -890398.41 5400 4555.9584 4555.9584 -390.48987 -390.48987 47.866842 47.866842 47.866842 109674.16 -987840.32 -889789.49 5500 4543.3593 4543.3593 -378.436 -378.436 47.868686 47.868686 47.868686 109686.84 -987953.57 -890173.89 5600 4526.6537 4526.6537 999.30742 999.30742 47.876582 47.876582 47.876582 109741.13 -987856.27 -890436.13 5700 4458.8629 4458.8629 -1239.2544 -1239.2544 47.878352 47.878352 47.878352 109753.3 -987841.06 -891879.87 5800 4598.27 4598.27 25.871614 25.871614 47.881545 47.881545 47.881545 109775.26 -987868.71 -888907.28 5900 4478.4729 4478.4729 -1069.0485 -1069.0485 47.889789 47.889789 47.889789 109831.97 -987890.76 -891507.54 6000 4545.8407 4545.8407 499.41252 499.41252 47.882563 47.882563 47.882563 109782.26 -987890.98 -890057.91 6100 4521.6604 4521.6604 -859.08852 -859.08852 47.893635 47.893635 47.893635 109858.43 -987851.5 -890538.82 6200 4578.4557 4578.4557 549.06069 549.06069 47.894045 47.894045 47.894045 109861.25 -987882.79 -889347.79 6300 4534.5387 4534.5387 -1654.6741 -1654.6741 47.896051 47.896051 47.896051 109875.06 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4612.71 1175.46 1175.46 47.924669 47.924669 47.924669 110072.13 -987839.39 -888567.19 7400 4493.4805 4493.4805 -1072.6187 -1072.6187 47.926289 47.926289 47.926289 110083.29 -987778.12 -891071.91 7500 4569.1156 4569.1156 -1006.255 -1006.255 47.928845 47.928845 47.928845 110100.9 -987758.16 -889424.18 7600 4500.3756 4500.3756 -1346.4986 -1346.4986 47.937488 47.937488 47.937488 110160.48 -987731.9 -890877.29 7700 4573.4586 4573.4586 189.61825 189.61825 47.931531 47.931531 47.931531 110119.42 -987898.11 -889470.65 7800 4545.3784 4545.3784 -887.82328 -887.82328 47.940429 47.940429 47.940429 110180.76 -987702.64 -889879.52 7900 4584.6235 4584.6235 144.50483 144.50483 47.938316 47.938316 47.938316 110166.19 -987864.98 -889197.24 8000 4504.8661 4504.8661 -718.27964 -718.27964 47.941462 47.941462 47.941462 110187.88 -987742.97 -890791.73 8100 4507.6116 4507.6116 1056.5847 1056.5847 47.948931 47.948931 47.948931 110239.39 -987632.34 -890622.01 8200 4503.9854 4503.9854 362.7582 362.7582 47.947403 47.947403 47.947403 110228.85 -987757.5 -890825.21 8300 4576.2281 4576.2281 645.71124 645.71124 47.952478 47.952478 47.952478 110263.85 -987637.08 -889150.02 8400 4575.8105 4575.8105 1231.704 1231.704 47.949043 47.949043 47.949043 110240.16 -987748.63 -889270.56 8500 4540.6964 4540.6964 -681.48375 -681.48375 47.957935 47.957935 47.957935 110301.5 -987729.42 -890007.05 8600 4550.2699 4550.2699 -127.73395 -127.73395 47.95787 47.95787 47.95787 110301.06 -987868.27 -889939.87 8700 4507.7832 4507.7832 322.03308 322.03308 47.960425 47.960425 47.960425 110318.68 -987711.96 -890697.94 8800 4594.7339 4594.7339 884.46157 884.46157 47.96197 47.96197 47.96197 110329.34 -987787.64 -888902.31 8900 4612.4753 4612.4753 480.2066 480.2066 47.96698 47.96698 47.96698 110363.92 -987648.5 -888381.35 9000 4502.3899 4502.3899 582.51362 582.51362 47.96476 47.96476 47.96476 110348.6 -987868.51 -890970.56 9100 4514.2229 4514.2229 -578.34709 -578.34709 47.966055 47.966055 47.966055 110357.54 -987828.89 -890676.27 9200 4528.4981 4528.4981 293.32653 293.32653 47.970023 47.970023 47.970023 110384.93 -987753.37 -890293.53 9300 4581.1965 4581.1965 1297.5212 1297.5212 47.965725 47.965725 47.965725 110355.26 -987516.65 -888922.66 9400 4481.2077 4481.2077 -1015.1621 -1015.1621 47.976087 47.976087 47.976087 110426.79 -987797.56 -891355.48 9500 4556.1012 4556.1012 1144.2692 1144.2692 47.979825 47.979825 47.979825 110452.61 -987571.66 -889517.77 9600 4603.2397 4603.2397 1778.8801 1778.8801 47.969762 47.969762 47.969762 110383.13 -987832.47 -888764.08 9700 4519.8615 4519.8615 -1439.8882 -1439.8882 47.985239 47.985239 47.985239 110490.01 -987832.65 -890558.68 9800 4638.1283 4638.1283 1930.1968 1930.1968 47.976362 47.976362 47.976362 110428.7 -987438.51 -887619.27 9900 4602.1351 4602.1351 1372.8467 1372.8467 47.979538 47.979538 47.979538 110450.63 -987858.48 -888813.87 10000 4646.4866 4646.4866 5.9595427 5.9595427 47.987037 47.987037 47.987037 110502.42 -987628.81 -887629.69 10100 4486.1161 4486.1161 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48.004753 48.004753 110624.86 -987798.81 -890303.96 11100 4528.1867 4528.1867 -66.023127 -66.023127 48.007681 48.007681 48.007681 110645.1 -987454.61 -890001.47 11200 4574.5728 4574.5728 2334.6874 2334.6874 48.000467 48.000467 48.000467 110595.23 -987606.12 -889154.69 11300 4561.8735 4561.8735 429.69967 429.69967 48.008106 48.008106 48.008106 110648.04 -987631.06 -889452.93 11400 4600.5523 4600.5523 98.082741 98.082741 48.009152 48.009152 48.009152 110655.27 -987716.8 -888706.25 11500 4563.4749 4563.4749 -1384.4084 -1384.4084 48.01265 48.01265 48.01265 110679.46 -987653.63 -889441.04 11600 4565.0292 4565.0292 100.58812 100.58812 48.008983 48.008983 48.008983 110654.1 -987676.9 -889430.86 11700 4502.2937 4502.2937 -47.535785 -47.535785 48.012928 48.012928 48.012928 110681.38 -987622.15 -890726.26 11800 4552.3206 4552.3206 -546.21996 -546.21996 48.016768 48.016768 48.016768 110707.94 -987594.76 -889622.23 11900 4514.8229 4514.8229 -626.65498 -626.65498 48.012537 48.012537 48.012537 110678.68 -987616.11 -890450.59 12000 4545.2368 4545.2368 46.363056 46.363056 48.015792 48.015792 48.015792 110701.19 -987517.98 -889697.9 12100 4502.0539 4502.0539 -371.76187 -371.76187 48.017698 48.017698 48.017698 110714.37 -987627.56 -890736.83 12200 4493.532 4493.532 -489.13673 -489.13673 48.013831 48.013831 48.013831 110687.63 -987693.6 -890986.29 12300 4550.2507 4550.2507 -118.40007 -118.40007 48.02515 48.02515 48.02515 110765.93 -987559.23 -889631.25 12400 4537.8544 4537.8544 -1440.4079 -1440.4079 48.019801 48.019801 48.019801 110728.92 -987482.03 -889820.83 12500 4537.173 4537.173 373.47621 373.47621 48.021998 48.021998 48.021998 110744.12 -987607.4 -889960.87 12600 4649.5962 4649.5962 1103.8712 1103.8712 48.025686 48.025686 48.025686 110769.63 -987559.09 -887493.04 12700 4501.2877 4501.2877 -1622.343 -1622.343 48.028212 48.028212 48.028212 110787.11 -987550.45 -890676.22 12800 4506.041 4506.041 -642.74614 -642.74614 48.025014 48.025014 48.025014 110764.98 -987596.71 -890620.18 12900 4513.7453 4513.7453 -547.62178 -547.62178 48.028007 48.028007 48.028007 110785.7 -987711.66 -890569.33 13000 4536.6481 4536.6481 -580.76484 -580.76484 48.032124 48.032124 48.032124 110814.19 -987571.07 -889935.83 13100 4496.3884 4496.3884 288.47636 288.47636 48.022988 48.022988 48.022988 110750.97 -987476 -890707.2 13200 4481.4724 4481.4724 144.07567 144.07567 48.035635 48.035635 48.035635 110838.49 -987694.23 -891246.45 13300 4491.3298 4491.3298 -2505.4568 -2505.4568 48.037185 48.037185 48.037185 110849.22 -987684.77 -891024.84 13400 4573.9403 4573.9403 328.34554 328.34554 48.030863 48.030863 48.030863 110805.46 -987540.83 -889103.01 13500 4550.7135 4550.7135 -564.28583 -564.28583 48.039048 48.039048 48.039048 110862.12 -987376.21 -889438.27 13600 4532.0303 4532.0303 390.80911 390.80911 48.03379 48.03379 48.03379 110825.72 -987513.64 -889977.78 13700 4471.6652 4471.6652 -132.31665 -132.31665 48.036927 48.036927 48.036927 110847.44 -987559.04 -891322.33 13800 4573.5454 4573.5454 780.00075 780.00075 48.043769 48.043769 48.043769 110894.8 -987569.41 -889140.09 13900 4530.2686 4530.2686 308.27778 308.27778 48.038287 48.038287 48.038287 110856.85 -987583.5 -890085.56 14000 4506.277 4506.277 597.89099 597.89099 48.041685 48.041685 48.041685 110880.38 -987449.69 -890468.08 14100 4604.088 4604.088 109.11004 109.11004 48.043969 48.043969 48.043969 110896.19 -987574.14 -888487.5 14200 4565.8544 4565.8544 192.06189 192.06189 48.042834 48.042834 48.042834 110888.33 -987544.57 -889280.77 14300 4556.345 4556.345 -596.72954 -596.72954 48.049239 48.049239 48.049239 110932.69 -987528.2 -889469.05 14400 4542.6653 4542.6653 864.52539 864.52539 48.043844 48.043844 48.043844 110895.32 -987423.8 -889659.06 14500 4566.0593 4566.0593 1266.5094 1266.5094 48.04534 48.04534 48.04534 110905.69 -987506.94 -889238.73 14600 4581.4613 4581.4613 -677.3369 -677.3369 48.050112 48.050112 48.050112 110938.74 -987459.91 -888860.23 14700 4493.9464 4493.9464 -345.56543 -345.56543 48.052816 48.052816 48.052816 110957.47 -987341.76 -890625.52 14800 4592.5494 4592.5494 2171.9085 2171.9085 48.048181 48.048181 48.048181 110925.36 -987371.75 -888533.43 14900 4574.0728 4574.0728 363.39226 363.39226 48.051727 48.051727 48.051727 110949.92 -987575.51 -889134.84 15000 4509.1829 4509.1829 137.4324 137.4324 48.052493 48.052493 48.052493 110955.23 -987716.67 -890672.52 15100 4516.9502 4516.9502 -754.64008 -754.64008 48.055711 48.055711 48.055711 110977.52 -987472.25 -890260.94 15200 4591.9195 4591.9195 795.84814 795.84814 48.057591 48.057591 48.057591 110990.55 -987305.91 -888481.15 15300 4471.7003 4471.7003 -935.83494 -935.83494 48.052855 48.052855 48.052855 110957.74 -987504.27 -891266.8 15400 4531.2983 4531.2983 823.74616 823.74616 48.058162 48.058162 48.058162 110994.51 -987722.45 -890202.35 15500 4529.9578 4529.9578 -466.17308 -466.17308 48.060634 48.060634 48.060634 111011.63 -987543.83 -890052.58 15600 4565.5506 4565.5506 -815.37055 -815.37055 48.058021 48.058021 48.058021 110993.53 -987298.26 -889041 15700 4536.7202 4536.7202 -103.7668 -103.7668 48.057306 48.057306 48.057306 110988.57 -987348.37 -889711.57 15800 4552.003 4552.003 -543.09958 -543.09958 48.066724 48.066724 48.066724 111053.84 -987487.61 -889521.91 15900 4579.7275 4579.7275 263.1946 263.1946 48.058987 48.058987 48.058987 111000.22 -987400.05 -888837.68 16000 4525.0289 4525.0289 -439.94053 -439.94053 48.065054 48.065054 48.065054 111042.26 -987473.98 -890088.81 16100 4531.8386 4531.8386 -1020.9249 -1020.9249 48.063063 48.063063 48.063063 111028.47 -987420.92 -889889.19 16200 4581.2076 4581.2076 1928.4112 1928.4112 48.065533 48.065533 48.065533 111045.58 -987510.67 -888916.45 16300 4605.7208 4605.7208 1081.1955 1081.1955 48.06625 48.06625 48.06625 111050.55 -987471.51 -888349.72 16400 4543.4626 4543.4626 104.21255 104.21255 48.06917 48.06917 48.06917 111070.79 -987409.58 -889627.68 16500 4533.0568 4533.0568 -79.700478 -79.700478 48.068428 48.068428 48.068428 111065.65 -987494.99 -889937.04 16600 4576.0545 4576.0545 271.77383 271.77383 48.069933 48.069933 48.069933 111076.08 -987441.46 -888958.14 16700 4566.4496 4566.4496 -1405.5685 -1405.5685 48.078634 48.078634 48.078634 111136.41 -987422.96 -889146.35 16800 4507.8079 4507.8079 -406.85363 -406.85363 48.068221 48.068221 48.068221 111064.21 -987462.47 -890447.92 16900 4553.8564 4553.8564 -949.48287 -949.48287 48.074916 48.074916 48.074916 111110.63 -987468.8 -889463.21 17000 4593.2103 4593.2103 -62.7785 -62.7785 48.07159 48.07159 48.07159 111087.57 -987578.15 -888725.61 17100 4537.3082 4537.3082 1716.2687 1716.2687 48.071961 48.071961 48.071961 111090.14 -987523.35 -889873.91 17200 4602.9559 4602.9559 -34.847014 -34.847014 48.080471 48.080471 48.080471 111149.15 -987468.26 -888405.98 17300 4530.952 4530.952 957.17083 957.17083 48.074936 48.074936 48.074936 111110.76 -987452.39 -889939.74 17400 4556.0241 4556.0241 -1096.8888 -1096.8888 48.078685 48.078685 48.078685 111136.76 -987382.65 -889330.41 17500 4563.5372 4563.5372 252.14152 252.14152 48.078804 48.078804 48.078804 111137.59 -987477.77 -889263.84 17600 4495.7701 4495.7701 21.311783 21.311783 48.077952 48.077952 48.077952 111131.68 -987531.99 -890776.51 17700 4513.7101 4513.7101 -1096.8141 -1096.8141 48.082841 48.082841 48.082841 111165.59 -987478.68 -890337.09 17800 4517.8011 4517.8011 -404.29399 -404.29399 48.081993 48.081993 48.081993 111159.7 -987440.47 -890210.85 17900 4535.6069 4535.6069 1158.6963 1158.6963 48.080453 48.080453 48.080453 111149.02 -987579.41 -889966.58 18000 4497.6635 4497.6635 -545.45392 -545.45392 48.0875 48.0875 48.0875 111197.91 -987609.82 -890813.58 18100 4533.8099 4533.8099 1566.287 1566.287 48.078174 48.078174 48.078174 111133.22 -987384.41 -889810.26 18200 4570.2029 4570.2029 99.629076 99.629076 48.090348 48.090348 48.090348 111217.66 -987463.91 -889106.52 18300 4529.1649 4529.1649 -349.42846 -349.42846 48.082483 48.082483 48.082483 111163.1 -987486.06 -890011.87 18400 4470.12 4470.12 610.19783 610.19783 48.084857 48.084857 48.084857 111179.57 -987407.3 -891203.84 18500 4505.6157 4505.6157 -1047.699 -1047.699 48.091578 48.091578 48.091578 111226.19 -987271.46 -890304.09 18600 4529.4056 4529.4056 693.39 693.39 48.080656 48.080656 48.080656 111150.43 -987401.08 -889921.71 18700 4614.1105 4614.1105 -1142.0561 -1142.0561 48.095782 48.095782 48.095782 111255.37 -987391.3 -888088.96 18800 4609.1394 4609.1394 -710.55375 -710.55375 48.087567 48.087567 48.087567 111198.37 -987481.09 -888285.73 18900 4512.5524 4512.5524 227.73107 227.73107 48.086312 48.086312 48.086312 111189.66 -987477.02 -890360.35 19000 4577.1459 4577.1459 -132.19842 -132.19842 48.09569 48.09569 48.09569 111254.73 -987377.13 -888870.32 19100 4519.861 4519.861 617.09326 617.09326 48.089724 48.089724 48.089724 111213.33 -987315.67 -890041.71 19200 4570.6866 4570.6866 1040.4055 1040.4055 48.091672 48.091672 48.091672 111226.85 -987408.37 -889040.58 19300 4517.9769 4517.9769 -440.12365 -440.12365 48.094245 48.094245 48.094245 111244.7 -987402.77 -890169.37 19400 4503.2792 4503.2792 -1315.4858 -1315.4858 48.091134 48.091134 48.091134 111223.12 -987441.4 -890524.31 19500 4467.9931 4467.9931 -1393.6731 -1393.6731 48.099342 48.099342 48.099342 111280.07 -987463.93 -891306.25 19600 4543.5862 4543.5862 724.78104 724.78104 48.095646 48.095646 48.095646 111254.42 -987435.88 -889651.32 19700 4602.1405 4602.1405 -37.917011 -37.917011 48.096519 48.096519 48.096519 111260.48 -987407.99 -888363.26 19800 4580.1203 4580.1203 -387.22088 -387.22088 48.100805 48.100805 48.100805 111290.23 -987406.88 -888836.05 19900 4521.2481 4521.2481 664.24525 664.24525 48.091943 48.091943 48.091943 111228.73 -987515.02 -890211.22 20000 4542.7927 4542.7927 -696.1688 -696.1688 48.106554 48.106554 48.106554 111330.14 -987373.55 -889606.07 Loop time of 1374.59 on 24 procs for 20000 steps with 7221 atoms Performance: 0.629 ns/day, 38.183 hours/ns, 14.550 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 738.35 | 779.67 | 805.95 | 63.5 | 56.72 Bond | 0.0048554 | 0.0070298 | 0.010026 | 1.5 | 0.00 Neigh | 0.1924 | 0.19939 | 0.20566 | 0.8 | 0.01 Comm | 12.188 | 37.983 | 79.036 | 284.4 | 2.76 Output | 0.050704 | 0.052249 | 0.084454 | 2.9 | 0.00 Modify | 554.93 | 556 | 557.26 | 3.4 | 40.45 Other | | 0.6723 | | | 0.05 Nlocal: 300.875 ave 317 max 282 min Histogram: 1 1 1 3 6 4 2 1 1 4 Nghost: 4196.71 ave 4223 max 4150 min Histogram: 2 0 1 2 1 4 2 3 6 3 Neighs: 116684 ave 123985 max 110158 min Histogram: 2 1 4 2 6 2 1 2 3 1 Total # of neighbors = 2800424 Ave neighs/atom = 387.817 Ave special neighs/atom = 0 Neighbor list builds = 7 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 20000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.6 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 20000 4542.7927 4542.7927 -696.17479 -696.17479 48.106554 48.106554 48.106554 111330.14 -987373.55 -889606.07 20100 4587.7935 4587.7935 1443.6136 1443.6136 48.104075 48.104075 48.104075 111312.93 -986164.6 -887428.64 20200 4566.4956 4566.4956 1716.9249 1716.9249 48.092872 48.092872 48.092872 111235.18 -986861.47 -888583.87 20300 4589.4882 4589.4882 2327.4917 2327.4917 48.073182 48.073182 48.073182 111098.61 -987169.93 -888397.5 20400 4601.6828 4601.6828 5476.4656 5476.4656 48.051849 48.051849 48.051849 110950.77 -987616.97 -888582.09 20500 4534.5767 4534.5767 6163.1271 6163.1271 48.034656 48.034656 48.034656 110831.72 -987497.86 -889907.2 20600 4547.6501 4547.6501 6684.3646 6684.3646 48.024429 48.024429 48.024429 110760.94 -987786.12 -889914.1 20700 4566.9923 4566.9923 6386.8723 6386.8723 48.020845 48.020845 48.020845 110736.14 -987710.92 -889422.63 20800 4518.2214 4518.2214 6389.3851 6389.3851 48.022481 48.022481 48.022481 110747.46 -987591.13 -890352.46 20900 4480.6155 4480.6155 4291.4051 4291.4051 48.026791 48.026791 48.026791 110777.28 -987502.5 -891073.17 21000 4486.4869 4486.4869 3741.6305 3741.6305 48.031697 48.031697 48.031697 110811.23 -987608.01 -891052.31 21100 4493.9442 4493.9442 3639.0095 3639.0095 48.034483 48.034483 48.034483 110830.52 -987599.56 -890883.38 21200 4605.2266 4605.2266 4980.8437 4980.8437 48.03549 48.03549 48.03549 110837.49 -987651.86 -888540.71 21300 4560.0577 4560.0577 4215.6794 4215.6794 48.034412 48.034412 48.034412 110830.02 -987665.74 -889526.69 21400 4549.257 4549.257 4200.6957 4200.6957 48.031344 48.031344 48.031344 110808.79 -987801.84 -889895.24 21500 4548.5671 4548.5671 2678.4418 2678.4418 48.028266 48.028266 48.028266 110787.49 -987591.33 -889699.58 21600 4551.9259 4551.9259 5494.0338 5494.0338 48.026105 48.026105 48.026105 110772.53 -987707.15 -889743.12 21700 4517.0385 4517.0385 4798.6903 4798.6903 48.023978 48.023978 48.023978 110757.82 -987755.42 -890542.21 21800 4530.3408 4530.3408 4472.6514 4472.6514 48.022475 48.022475 48.022475 110747.42 -987637.11 -890137.62 21900 4552.867 4552.867 5415.0716 5415.0716 48.022103 48.022103 48.022103 110744.84 -987653.18 -889668.89 22000 4538.5569 4538.5569 3945.5958 3945.5958 48.022035 48.022035 48.022035 110744.38 -987345.32 -889669 22100 4554.105 4554.105 4290.2107 4290.2107 48.021926 48.021926 48.021926 110743.62 -987791.16 -889780.23 22200 4505.0422 4505.0422 3420.7319 3420.7319 48.02147 48.02147 48.02147 110740.47 -987650.39 -890695.36 22300 4539.8094 4539.8094 4504.3221 4504.3221 48.021171 48.021171 48.021171 110738.4 -987638.41 -889935.13 22400 4548.1025 4548.1025 4122.1559 4122.1559 48.020564 48.020564 48.020564 110734.2 -987640.17 -889758.41 22500 4546.6251 4546.6251 4629.2537 4629.2537 48.020034 48.020034 48.020034 110730.54 -987795.77 -889945.81 22600 4521.8067 4521.8067 4988.98 4988.98 48.020146 48.020146 48.020146 110731.31 -987658 -890342.17 22700 4547.8968 4547.8968 4288.4235 4288.4235 48.020266 48.020266 48.020266 110732.14 -987824.28 -889946.95 22800 4574.4705 4574.4705 6092.9953 6092.9953 48.020195 48.020195 48.020195 110731.65 -987584.32 -889135.09 22900 4552.8369 4552.8369 4305.7117 4305.7117 48.019898 48.019898 48.019898 110729.59 -987685.27 -889701.63 23000 4555.8882 4555.8882 5058.3546 5058.3546 48.019862 48.019862 48.019862 110729.35 -987844.34 -889795.03 23100 4529.5576 4529.5576 5510.634 5510.634 48.019238 48.019238 48.019238 110725.03 -987562.89 -890080.25 23200 4533.1576 4533.1576 5965.226 5965.226 48.019047 48.019047 48.019047 110723.71 -987701.58 -890141.46 23300 4579.954 4579.954 4055.3291 4055.3291 48.019018 48.019018 48.019018 110723.5 -987583.95 -889016.7 23400 4553.8442 4553.8442 3635.9259 3635.9259 48.0187 48.0187 48.0187 110721.31 -987770.66 -889765.33 23500 4496.2092 4496.2092 4521.5362 4521.5362 48.018129 48.018129 48.018129 110717.35 -987648.89 -890883.95 23600 4503.372 4503.372 3351.8361 3351.8361 48.017663 48.017663 48.017663 110714.13 -987847.63 -890928.54 23700 4576.7359 4576.7359 4464.0628 4464.0628 48.017129 48.017129 48.017129 110710.43 -987740.2 -889242.21 23800 4539.1262 4539.1262 4757.5798 4757.5798 48.017004 48.017004 48.017004 110709.57 -987707.75 -890019.18 23900 4561.0992 4561.0992 4809.7067 4809.7067 48.016846 48.016846 48.016846 110708.48 -987728.63 -889567.17 24000 4521.1054 4521.1054 5046.0315 5046.0315 48.017097 48.017097 48.017097 110710.22 -987675.54 -890374.8 24100 4631.5781 4631.5781 5749.3759 5749.3759 48.01704 48.01704 48.01704 110709.83 -987721.48 -888043.21 24200 4519.229 4519.229 3512.4312 3512.4312 48.01654 48.01654 48.01654 110706.36 -987737.89 -890477.53 24300 4553.9763 4553.9763 3544.3454 3544.3454 48.016396 48.016396 48.016396 110705.37 -987643.27 -889635.11 24400 4561.7353 4561.7353 4137.6978 4137.6978 48.016409 48.016409 48.016409 110705.46 -987829.28 -889654.12 24500 4558.4944 4558.4944 7399.8894 7399.8894 48.01664 48.01664 48.01664 110707.06 -987537.91 -889432.51 24600 4587.4587 4587.4587 7169.6991 7169.6991 48.016311 48.016311 48.016311 110704.78 -987623.46 -888894.71 24700 4506.2234 4506.2234 4091.1824 4091.1824 48.016051 48.016051 48.016051 110702.98 -987754.18 -890773.72 24800 4536.3082 4536.3082 5006.643 5006.643 48.016004 48.016004 48.016004 110702.66 -987654.55 -890026.62 24900 4512.6015 4512.6015 4363.9984 4363.9984 48.016518 48.016518 48.016518 110706.21 -987803.64 -890685.92 25000 4490.9971 4490.9971 3706.6517 3706.6517 48.016426 48.016426 48.016426 110705.57 -987643.62 -890990.85 25100 4540.9182 4540.9182 4636.9899 4636.9899 48.015952 48.015952 48.015952 110702.3 -987757.32 -890030.18 25200 4583.7606 4583.7606 5064.1066 5064.1066 48.015962 48.015962 48.015962 110702.37 -987785.99 -889136.82 25300 4527.9541 4527.9541 4536.2109 4536.2109 48.016675 48.016675 48.016675 110707.3 -987769.71 -890321.58 25400 4514.3322 4514.3322 4935.6886 4935.6886 48.017119 48.017119 48.017119 110710.37 -987799.65 -890644.68 25500 4579.2028 4579.2028 3933.1147 3933.1147 48.017301 48.017301 48.017301 110711.63 -987665.02 -889113.94 25600 4530.565 4530.565 5114.161 5114.161 48.016736 48.016736 48.016736 110707.72 -987793.28 -890288.95 25700 4517.9318 4517.9318 4309.4149 4309.4149 48.016205 48.016205 48.016205 110704.05 -987661.22 -890428.78 25800 4517.714 4517.714 4523.4068 4523.4068 48.015879 48.015879 48.015879 110701.79 -987583.46 -890355.71 25900 4483.6952 4483.6952 3936.2098 3936.2098 48.015428 48.015428 48.015428 110698.67 -987618.05 -891122.43 26000 4603.0331 4603.0331 5878.1316 5878.1316 48.015512 48.015512 48.015512 110699.25 -987626.42 -888562.48 26100 4578.6456 4578.6456 5543.6002 5543.6002 48.015991 48.015991 48.015991 110702.57 -987693.24 -889154.16 26200 4493.0862 4493.0862 4296.7597 4296.7597 48.016425 48.016425 48.016425 110705.57 -987837.49 -891139.76 26300 4529.1006 4529.1006 4746.9219 4746.9219 48.016481 48.016481 48.016481 110705.96 -987717.98 -890245.18 26400 4467.9804 4467.9804 4063.8203 4063.8203 48.016634 48.016634 48.016634 110707.01 -987831.4 -891673.99 26500 4578.0766 4578.0766 5277.4777 5277.4777 48.016665 48.016665 48.016665 110707.23 -987760.06 -889233.22 26600 4514.6258 4514.6258 3991.179 3991.179 48.016426 48.016426 48.016426 110705.58 -987740.71 -890579.42 26700 4569.3135 4569.3135 6486.2393 6486.2393 48.016195 48.016195 48.016195 110703.98 -987755.47 -889417.23 26800 4554.2721 4554.2721 4687.9149 4687.9149 48.016199 48.016199 48.016199 110704.01 -987732.36 -889717.83 26900 4546.4027 4546.4027 5905.5777 5905.5777 48.016281 48.016281 48.016281 110704.57 -987811.9 -889966.73 27000 4535.1113 4535.1113 5953.0047 5953.0047 48.016674 48.016674 48.016674 110707.29 -987812.71 -890210.55 27100 4549.9428 4549.9428 5057.7012 5057.7012 48.016964 48.016964 48.016964 110709.29 -987747.74 -889826.38 27200 4549.7853 4549.7853 5930.6018 5930.6018 48.017199 48.017199 48.017199 110710.92 -987689.29 -889771.32 27300 4555.6802 4555.6802 4878.663 4878.663 48.017131 48.017131 48.017131 110710.45 -987640.84 -889596.01 27400 4586.4512 4586.4512 6665.9215 6665.9215 48.017172 48.017172 48.017172 110710.73 -987643.88 -888936.81 27500 4548.7222 4548.7222 6481.9041 6481.9041 48.017256 48.017256 48.017256 110711.31 -987527.3 -889632.21 27600 4578.9462 4578.9462 5234.5096 5234.5096 48.017494 48.017494 48.017494 110712.96 -987746.55 -889201 27700 4577.5611 4577.5611 4863.4591 4863.4591 48.017634 48.017634 48.017634 110713.93 -987884.75 -889369.01 27800 4505.1536 4505.1536 4149.1548 4149.1548 48.017774 48.017774 48.017774 110714.9 -987773.62 -890816.19 27900 4610.6326 4610.6326 6431.2195 6431.2195 48.017768 48.017768 48.017768 110714.86 -987779.32 -888551.83 28000 4571.8679 4571.8679 5908.4144 5908.4144 48.017846 48.017846 48.017846 110715.4 -987707.05 -889313.83 28100 4541.8343 4541.8343 5423.9015 5423.9015 48.017333 48.017333 48.017333 110711.85 -987770.18 -890023.32 28200 4544.8846 4544.8846 3536.7785 3536.7785 48.017002 48.017002 48.017002 110709.56 -987815.83 -890003.33 28300 4523.2144 4523.2144 6095.7232 6095.7232 48.016954 48.016954 48.016954 110709.23 -987711.83 -890365.7 28400 4522.592 4522.592 4598.2157 4598.2157 48.017239 48.017239 48.017239 110711.2 -987736.06 -890403.33 28500 4541.8812 4541.8812 6797.0053 6797.0053 48.01715 48.01715 48.01715 110710.59 -987804.92 -890057.06 28600 4580.4763 4580.4763 6684.6867 6684.6867 48.017088 48.017088 48.017088 110710.16 -987742.55 -889164.06 28700 4561.5033 4561.5033 4890.7204 4890.7204 48.017433 48.017433 48.017433 110712.54 -987748.14 -889577.99 28800 4542.0147 4542.0147 5021.377 5021.377 48.018195 48.018195 48.018195 110717.81 -987804.7 -890053.97 28900 4543.1203 4543.1203 5116.4358 5116.4358 48.018579 48.018579 48.018579 110720.47 -987737.6 -889963.08 29000 4557.188 4557.188 3830.2179 3830.2179 48.018943 48.018943 48.018943 110722.99 -987940.98 -889863.69 29100 4601.2686 4601.2686 6907.6209 6907.6209 48.018907 48.018907 48.018907 110722.74 -987767.11 -888741.14 29200 4574.6647 4574.6647 5310.8885 5310.8885 48.01889 48.01889 48.01889 110722.62 -987636.99 -889183.58 29300 4563.3815 4563.3815 5476.8526 5476.8526 48.018537 48.018537 48.018537 110720.18 -987854.08 -889643.5 29400 4547.8635 4547.8635 3805.5866 3805.5866 48.018084 48.018084 48.018084 110717.04 -987695.26 -889818.65 29500 4570.8746 4570.8746 4443.6382 4443.6382 48.017856 48.017856 48.017856 110715.46 -987673.95 -889302.11 29600 4578.5008 4578.5008 5279.3452 5279.3452 48.018062 48.018062 48.018062 110716.89 -987667.85 -889131.88 29700 4472.3531 4472.3531 4642.5516 4642.5516 48.018379 48.018379 48.018379 110719.08 -987827.86 -891576.35 29800 4545.4882 4545.4882 4641.1768 4641.1768 48.018709 48.018709 48.018709 110721.37 -987773.87 -889948.38 29900 4578.2172 4578.2172 6582.7197 6582.7197 48.018823 48.018823 48.018823 110722.15 -987829.94 -889300.08 30000 4453.0949 4453.0949 4850.7917 4850.7917 48.018913 48.018913 48.018913 110722.78 -987744 -891906.95 30100 4487.5428 4487.5428 5709.6032 5709.6032 48.019477 48.019477 48.019477 110726.68 -987759.44 -891181.02 30200 4523.4745 4523.4745 5537.8496 5537.8496 48.019844 48.019844 48.019844 110729.22 -987977.55 -890625.83 30300 4531.8341 4531.8341 4057.4965 4057.4965 48.019512 48.019512 48.019512 110726.92 -987706.78 -890175.14 30400 4603.6013 4603.6013 6067.2372 6067.2372 48.019321 48.019321 48.019321 110725.6 -987717.03 -888640.86 30500 4547.0621 4547.0621 6670.8176 6670.8176 48.019446 48.019446 48.019446 110726.46 -987791.9 -889932.54 30600 4504.1885 4504.1885 3339.153 3339.153 48.020079 48.020079 48.020079 110730.84 -987822.03 -890885.37 30700 4536.7779 4536.7779 4151.0537 4151.0537 48.02022 48.02022 48.02022 110731.82 -987637.3 -889999.26 30800 4528.7788 4528.7788 6578.3679 6578.3679 48.02051 48.02051 48.02051 110733.83 -987566.04 -890100.16 30900 4473.507 4473.507 3960.3528 3960.3528 48.020873 48.020873 48.020873 110736.34 -987792.93 -891516.58 31000 4516.3995 4516.3995 3958.1062 3958.1062 48.020922 48.020922 48.020922 110736.68 -987744.06 -890544.6 31100 4548.3265 4548.3265 4391.4864 4391.4864 48.020664 48.020664 48.020664 110734.89 -987781.22 -889894.64 31200 4570.6593 4570.6593 5088.2247 5088.2247 48.020551 48.020551 48.020551 110734.11 -987670.27 -889303.06 31300 4519.5174 4519.5174 3639.5981 3639.5981 48.020566 48.020566 48.020566 110734.21 -987573.97 -890307.41 31400 4581.2434 4581.2434 4547.6377 4547.6377 48.020301 48.020301 48.020301 110732.38 -987794.55 -889199.55 31500 4500.9857 4500.9857 4860.5258 4860.5258 48.020503 48.020503 48.020503 110733.78 -987752.44 -890884.7 31600 4568.902 4568.902 5373.8675 5373.8675 48.021339 48.021339 48.021339 110739.56 -987563.89 -889234.5 31700 4499.1128 4499.1128 3941.4743 3941.4743 48.021572 48.021572 48.021572 110741.17 -987623.17 -890795.74 31800 4501.4149 4501.4149 5022.617 5022.617 48.021745 48.021745 48.021745 110742.37 -987809.48 -890932.51 31900 4570.2436 4570.2436 4475.7137 4475.7137 48.021767 48.021767 48.021767 110742.52 -987739.43 -889381.17 32000 4605.8476 4605.8476 4755.836 4755.836 48.021273 48.021273 48.021273 110739.11 -987814.79 -888690.28 32100 4513.5491 4513.5491 2987.0686 2987.0686 48.021042 48.021042 48.021042 110737.5 -987839.21 -890701.1 32200 4529.8786 4529.8786 3825.7131 3825.7131 48.021229 48.021229 48.021229 110738.8 -987669.15 -890179.6 32300 4567.347 4567.347 5024.0185 5024.0185 48.021834 48.021834 48.021834 110742.99 -987697.87 -889401.95 32400 4587.7507 4587.7507 4908.0978 4908.0978 48.022504 48.022504 48.022504 110747.62 -987773.09 -889038.04 32500 4512.2016 4512.2016 5047.7378 5047.7378 48.023422 48.023422 48.023422 110753.97 -987754.04 -890644.92 32600 4550.6368 4550.6368 4843.2361 4843.2361 48.024105 48.024105 48.024105 110758.7 -987586.38 -889650.08 32700 4557.9776 4557.9776 5268.0574 5268.0574 48.024178 48.024178 48.024178 110759.2 -987813.53 -889719.25 32800 4608.7336 4608.7336 6013.1027 6013.1027 48.024245 48.024245 48.024245 110759.67 -987699.38 -888512.76 32900 4504.0368 4504.0368 4962.0615 4962.0615 48.023645 48.023645 48.023645 110755.52 -987789.87 -890856.47 33000 4479.252 4479.252 4493.1414 4493.1414 48.023171 48.023171 48.023171 110752.24 -987803.05 -891403.06 33100 4537.8733 4537.8733 4525.5887 4525.5887 48.022766 48.022766 48.022766 110749.43 -987621.25 -889959.64 33200 4515.0855 4515.0855 5198.1997 5198.1997 48.022511 48.022511 48.022511 110747.67 -987739.47 -890568.29 33300 4601.197 4601.197 6428.3244 6428.3244 48.023082 48.023082 48.023082 110751.62 -987788.27 -888763.85 33400 4512.3619 4512.3619 4532.2168 4532.2168 48.023678 48.023678 48.023678 110755.74 -987912.73 -890800.17 33500 4532.5662 4532.5662 4000.7446 4000.7446 48.024423 48.024423 48.024423 110760.9 -987591.29 -890043.9 33600 4602.6754 4602.6754 7448.1577 7448.1577 48.024784 48.024784 48.024784 110763.4 -987813.88 -888757.64 33700 4543.654 4543.654 4932.8034 4932.8034 48.024529 48.024529 48.024529 110761.63 -987622.21 -889836.19 33800 4557.6988 4557.6988 5615.8703 5615.8703 48.024228 48.024228 48.024228 110759.55 -987826.57 -889738.29 33900 4510.3547 4510.3547 5854.0947 5854.0947 48.023851 48.023851 48.023851 110756.94 -987702.16 -890632.79 34000 4605.5018 4605.5018 5973.1817 5973.1817 48.023693 48.023693 48.023693 110755.85 -987885.15 -888768.08 34100 4576.366 4576.366 7057.2557 7057.2557 48.024127 48.024127 48.024127 110758.85 -987606.22 -889116.19 34200 4548.6116 4548.6116 5970.6559 5970.6559 48.024794 48.024794 48.024794 110763.46 -987835.42 -889942.71 34300 4507.0086 4507.0086 4855.987 4855.987 48.025277 48.025277 48.025277 110766.81 -987595.19 -890597.83 34400 4554.9358 4554.9358 5964.4174 5964.4174 48.025944 48.025944 48.025944 110771.43 -987760.59 -889731.78 34500 4493.4741 4493.4741 5039.3499 5039.3499 48.026287 48.026287 48.026287 110773.79 -987665.86 -890959.79 34600 4574.5021 4574.5021 5888.4412 5888.4412 48.026421 48.026421 48.026421 110774.72 -987635.86 -889185.95 34700 4606.6418 4606.6418 4996.1512 4996.1512 48.026152 48.026152 48.026152 110772.86 -987849.99 -888708.38 34800 4527.1724 4527.1724 6003.4882 6003.4882 48.025623 48.025623 48.025623 110769.2 -987511.94 -890080.63 34900 4589.1682 4589.1682 5142.6322 5142.6322 48.025427 48.025427 48.025427 110767.84 -987823.33 -889057.78 35000 4522.3676 4522.3676 6315.385 6315.385 48.025313 48.025313 48.025313 110767.05 -987869.44 -890541.54 35100 4461.7845 4461.7845 4139.996 4139.996 48.025916 48.025916 48.025916 110771.23 -987660.52 -891636.46 35200 4543.9301 4543.9301 4784.7454 4784.7454 48.026505 48.026505 48.026505 110775.3 -987871.76 -890079.8 35300 4580.0573 4580.0573 4815.4855 4815.4855 48.027092 48.027092 48.027092 110779.37 -987780.82 -889211.35 35400 4557.8888 4557.8888 5192.4989 5192.4989 48.027134 48.027134 48.027134 110779.65 -987853.02 -889760.65 35500 4554.9687 4554.9687 5225.9101 5225.9101 48.027157 48.027157 48.027157 110779.82 -987711.7 -889682.17 35600 4551.6634 4551.6634 3858.3685 3858.3685 48.027251 48.027251 48.027251 110780.46 -987744.5 -889786.11 35700 4605.7409 4605.7409 6491.1603 6491.1603 48.026745 48.026745 48.026745 110776.96 -987727.89 -888605.67 35800 4506.3687 4506.3687 4936.8334 4936.8334 48.025821 48.025821 48.025821 110770.57 -987821.68 -890838.1 35900 4539.4999 4539.4999 6185.0266 6185.0266 48.0253 48.0253 48.0253 110766.96 -987661.95 -889965.34 36000 4575.5954 4575.5954 4802.0361 4802.0361 48.025729 48.025729 48.025729 110769.93 -987570.03 -889096.59 36100 4533.1147 4533.1147 5343.4827 5343.4827 48.026469 48.026469 48.026469 110775.05 -987768.91 -890209.72 36200 4560.3811 4560.3811 5465.4244 5465.4244 48.02697 48.02697 48.02697 110778.52 -987624.25 -889478.25 36300 4700.9606 4700.9606 7397.0843 7397.0843 48.0276 48.0276 48.0276 110782.88 -987714.71 -886543.23 36400 4540.5096 4540.5096 5432.7238 5432.7238 48.027749 48.027749 48.027749 110783.91 -987739.92 -890021.57 36500 4484.8211 4484.8211 6233.2055 6233.2055 48.027772 48.027772 48.027772 110784.07 -987790.44 -891270.6 36600 4521.0038 4521.0038 4294.8787 4294.8787 48.028146 48.028146 48.028146 110786.66 -987673.46 -890374.91 36700 4487.4266 4487.4266 5073.3587 5073.3587 48.027894 48.027894 48.027894 110784.92 -987655.37 -891079.45 36800 4606.0862 4606.0862 6857.9684 6857.9684 48.027445 48.027445 48.027445 110781.81 -987669.69 -888540.04 36900 4510.729 4510.729 4242.9532 4242.9532 48.027836 48.027836 48.027836 110784.51 -987677.51 -890600.09 37000 4602.0723 4602.0723 6415.3873 6415.3873 48.028684 48.028684 48.028684 110790.38 -987818.43 -888775.17 37100 4635.1165 4635.1165 5641.2457 5641.2457 48.029296 48.029296 48.029296 110794.62 -987739.2 -887984.78 37200 4488.7167 4488.7167 5055.6131 5055.6131 48.029476 48.029476 48.029476 110795.86 -987693.75 -891090.07 37300 4532.3848 4532.3848 4539.4676 4539.4676 48.029166 48.029166 48.029166 110793.72 -987629.05 -890085.56 37400 4525.6962 4525.6962 6009.3463 6009.3463 48.028947 48.028947 48.028947 110792.2 -987684.64 -890285.1 37500 4563.5756 4563.5756 5647.1593 5647.1593 48.02908 48.02908 48.02908 110793.12 -987732.59 -889517.83 37600 4456.97 4456.97 3660.6881 3660.6881 48.029042 48.029042 48.029042 110792.86 -987830.38 -891909.93 37700 4505.5211 4505.5211 5877.7111 5877.7111 48.02879 48.02879 48.02879 110791.12 -987720.85 -890755.51 37800 4593.0239 4593.0239 5066.475 5066.475 48.029049 48.029049 48.029049 110792.91 -987779.85 -888931.32 37900 4547.4266 4547.4266 5898.0024 5898.0024 48.02932 48.02932 48.02932 110794.79 -987703.42 -889836.22 38000 4585.5939 4585.5939 6118.7416 6118.7416 48.029663 48.029663 48.029663 110797.16 -987797.78 -889109.16 38100 4582.6858 4582.6858 4149.9289 4149.9289 48.030168 48.030168 48.030168 110800.65 -987699.16 -889073.12 38200 4530.6641 4530.6641 4269.3389 4269.3389 48.030974 48.030974 48.030974 110806.23 -987656.31 -890149.85 38300 4508.6896 4508.6896 5543.7174 5543.7174 48.031322 48.031322 48.031322 110808.64 -987657.44 -890623.91 38400 4588.1221 4588.1221 4769.6516 4769.6516 48.031309 48.031309 48.031309 110808.55 -987775.32 -889032.28 38500 4498.1079 4498.1079 4595.3937 4595.3937 48.031404 48.031404 48.031404 110809.21 -987648.44 -890842.64 38600 4537.3536 4537.3536 4842.3441 4842.3441 48.031157 48.031157 48.031157 110807.5 -987691.74 -890041.32 38700 4573.3821 4573.3821 4725.7027 4725.7027 48.030639 48.030639 48.030639 110803.91 -987670.01 -889244.2 38800 4585.6578 4585.6578 6192.1195 6192.1195 48.030632 48.030632 48.030632 110803.86 -987697.6 -889007.61 38900 4493.9604 4493.9604 4438.1902 4438.1902 48.031111 48.031111 48.031111 110807.18 -987735.41 -891018.88 39000 4488.2649 4488.2649 5853.8546 5853.8546 48.032003 48.032003 48.032003 110813.35 -987757.47 -891163.51 39100 4543.2323 4543.2323 5123.881 5123.881 48.032611 48.032611 48.032611 110817.56 -987718.84 -889941.9 39200 4530.6966 4530.6966 5383.6135 5383.6135 48.032414 48.032414 48.032414 110816.19 -987636.63 -890129.48 39300 4465.9798 4465.9798 4009.389 4009.389 48.0323 48.0323 48.0323 110815.41 -987700.62 -891586.27 39400 4587.202 4587.202 5748.578 5748.578 48.032028 48.032028 48.032028 110813.52 -987526.36 -888803.13 39500 4563.2891 4563.2891 5676.8991 5676.8991 48.031793 48.031793 48.031793 110811.9 -987990.33 -889781.73 39600 4534.6314 4534.6314 3738.4392 3738.4392 48.031773 48.031773 48.031773 110811.76 -987910.13 -890318.3 39700 4580.0496 4580.0496 5312.0337 5312.0337 48.031778 48.031778 48.031778 110811.79 -987694.92 -889125.61 39800 4532.5652 4532.5652 5446.355 5446.355 48.032396 48.032396 48.032396 110816.07 -987750.02 -890202.65 39900 4453.2171 4453.2171 3827.2536 3827.2536 48.032463 48.032463 48.032463 110816.54 -987626.08 -891786.4 40000 4518.7847 4518.7847 3661.3623 3661.3623 48.032435 48.032435 48.032435 110816.34 -987663.03 -890412.24 Loop time of 1337.07 on 24 procs for 20000 steps with 7221 atoms Performance: 0.646 ns/day, 37.141 hours/ns, 14.958 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 723.56 | 766.47 | 793.15 | 66.0 | 57.32 Bond | 0.0044792 | 0.0069942 | 0.010178 | 1.6 | 0.00 Neigh | 0.045417 | 0.046634 | 0.047641 | 0.3 | 0.00 Comm | 10.935 | 36.27 | 78.684 | 294.7 | 2.71 Output | 0.047776 | 0.049327 | 0.081657 | 3.0 | 0.00 Modify | 531.21 | 533.56 | 536.59 | 8.5 | 39.91 Other | | 0.6665 | | | 0.05 Nlocal: 300.875 ave 317 max 285 min Histogram: 1 1 2 7 2 5 1 2 0 3 Nghost: 4206.71 ave 4233 max 4163 min Histogram: 2 0 0 3 2 1 5 7 0 4 Neighs: 117068 ave 124327 max 111570 min Histogram: 2 3 5 2 2 3 3 1 1 2 Total # of neighbors = 2809627 Ave neighs/atom = 389.091 Ave special neighs/atom = 0 Neighbor list builds = 2 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 40000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.6 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 40000 4518.7847 4518.7847 3661.5738 3661.5738 48.032435 48.032435 48.032435 110816.34 -987663.03 -890412.24 40100 4572.3883 4572.3883 3834.804 3834.804 48.040432 48.040432 48.040432 110871.7 -986446.16 -888041.74 40200 4457.9656 4457.9656 727.6341 727.6341 48.054686 48.054686 48.054686 110970.42 -987230.3 -891288.42 40300 4517.3132 4517.3132 429.27762 429.27762 48.066378 48.066378 48.066378 111051.44 -987164.77 -889945.64 40400 4539.7563 4539.7563 912.61697 912.61697 48.072999 48.072999 48.072999 111097.34 -987306.36 -889604.22 40500 4514.6034 4514.6034 -126.20764 -126.20764 48.075019 48.075019 48.075019 111111.34 -987405.22 -890244.41 40600 4479.4134 4479.4134 2244.3268 2244.3268 48.073485 48.073485 48.073485 111100.71 -987388.02 -890984.55 40700 4618.107 4618.107 2688.544 2688.544 48.07004 48.07004 48.07004 111076.82 -987502.77 -888114.42 40800 4534.1085 4534.1085 4000.179 4000.179 48.067097 48.067097 48.067097 111056.43 -987385.3 -889804.72 40900 4578.99 4578.99 3760.2151 3760.2151 48.066002 48.066002 48.066002 111048.84 -987691.03 -889144.54 41000 4552.3018 4552.3018 2744.0262 2744.0262 48.066825 48.066825 48.066825 111054.54 -987608.32 -889636.19 41100 4534.0074 4534.0074 4298.6459 4298.6459 48.068901 48.068901 48.068901 111068.93 -987490.82 -889912.41 41200 4560.5832 4560.5832 3858.014 3858.014 48.071291 48.071291 48.071291 111085.5 -987630.18 -889479.83 41300 4581.2715 4581.2715 3571.3938 3571.3938 48.073717 48.073717 48.073717 111102.31 -987552.8 -888957.21 41400 4493.3205 4493.3205 2162.492 2162.492 48.075957 48.075957 48.075957 111117.84 -987497.84 -890795.08 41500 4580.2568 4580.2568 2230.9386 2230.9386 48.077706 48.077706 48.077706 111129.97 -987528.97 -888955.21 41600 4505.7064 4505.7064 3087.9263 3087.9263 48.07835 48.07835 48.07835 111134.44 -987390.27 -890420.94 41700 4491.197 4491.197 3189.1036 3189.1036 48.079148 48.079148 48.079148 111139.98 -987564.52 -890907.46 41800 4578.327 4578.327 2362.0883 2362.0883 48.079562 48.079562 48.079562 111142.85 -987546.61 -889014.38 41900 4571.6978 4571.6978 2612.7718 2612.7718 48.07968 48.07968 48.07968 111143.67 -987490.66 -889101.1 42000 4541.4853 4541.4853 2915.7857 2915.7857 48.079235 48.079235 48.079235 111140.58 -987323.2 -889583.86 42100 4576.2243 4576.2243 2599.3303 2599.3303 48.079076 48.079076 48.079076 111139.47 -987472.5 -888985.53 42200 4507.2193 4507.2193 1782.9005 1782.9005 48.07982 48.07982 48.07982 111144.63 -987518.8 -890516.91 42300 4561.4003 4561.4003 3109.916 3109.916 48.081345 48.081345 48.081345 111155.21 -987660.2 -889492.25 42400 4577.3062 4577.3062 3252.4122 3252.4122 48.08257 48.08257 48.08257 111163.71 -987555.69 -889045.43 42500 4542.6639 4542.6639 2566.839 2566.839 48.083176 48.083176 48.083176 111167.91 -987521.22 -889756.52 42600 4485.2758 4485.2758 853.43595 853.43595 48.083665 48.083665 48.083665 111171.3 -987652.63 -891123 42700 4491.2528 4491.2528 1078.1158 1078.1158 48.08397 48.08397 48.08397 111173.42 -987569.97 -890911.71 42800 4554.8367 4554.8367 3455.291 3455.291 48.08428 48.08428 48.08428 111175.56 -987409.38 -889382.7 42900 4550.4513 4550.4513 2185.8555 2185.8555 48.085101 48.085101 48.085101 111181.26 -987642.19 -889709.88 43000 4498.002 4498.002 2144.2905 2144.2905 48.085747 48.085747 48.085747 111185.74 -987516.55 -890713.03 43100 4583.4302 4583.4302 1861.2982 1861.2982 48.08647 48.08647 48.08647 111190.76 -987559.16 -888917.1 43200 4554.3423 4554.3423 3946.6843 3946.6843 48.087337 48.087337 48.087337 111196.77 -987425.17 -889409.13 43300 4618.12 4618.12 1856.5401 1856.5401 48.087748 48.087748 48.087748 111199.62 -987566.44 -888177.81 43400 4511.5105 4511.5105 2965.7606 2965.7606 48.088907 48.088907 48.088907 111207.67 -987532.96 -890438.72 43500 4554.7119 4554.7119 2969.3795 2969.3795 48.090216 48.090216 48.090216 111216.74 -987457.69 -889433.69 43600 4583.9939 4583.9939 2516.5732 2516.5732 48.0908 48.0908 48.0908 111220.8 -987461.27 -888807.08 43700 4620.2277 4620.2277 4497.1869 4497.1869 48.090629 48.090629 48.090629 111219.61 -987409.52 -887975.53 43800 4509.4171 4509.4171 3137.4854 3137.4854 48.090701 48.090701 48.090701 111220.11 -987499.94 -890450.76 43900 4555.421 4555.421 1581.9302 1581.9302 48.090887 48.090887 48.090887 111221.4 -987349.31 -889310.05 44000 4563.3229 4563.3229 2182.1703 2182.1703 48.091157 48.091157 48.091157 111223.28 -987485.15 -889275.83 44100 4479.8552 4479.8552 1618.4228 1618.4228 48.091854 48.091854 48.091854 111228.11 -987570.84 -891157.86 44200 4506.7521 4506.7521 1587.9952 1587.9952 48.09244 48.09244 48.09244 111232.18 -987646.53 -890654.7 44300 4564.7795 4564.7795 3698.6725 3698.6725 48.093211 48.093211 48.093211 111237.53 -987397.65 -889156.98 44400 4555.5902 4555.5902 2282.3569 2282.3569 48.093941 48.093941 48.093941 111242.59 -987271.55 -889228.65 44500 4563.5445 4563.5445 2436.2864 2436.2864 48.094747 48.094747 48.094747 111248.18 -987713.84 -889499.75 44600 4577.1422 4577.1422 4025.5755 4025.5755 48.095026 48.095026 48.095026 111250.12 -987585.02 -889078.29 44700 4486.1897 4486.1897 1052.9077 1052.9077 48.095424 48.095424 48.095424 111252.88 -987579.67 -891030.37 44800 4550.6334 4550.6334 1670.8542 1670.8542 48.095874 48.095874 48.095874 111256 -987404.22 -889468 44900 4525.2489 4525.2489 2984.219 2984.219 48.096499 48.096499 48.096499 111260.34 -987490.07 -890100.16 45000 4522.552 4522.552 2509.3894 2509.3894 48.096969 48.096969 48.096969 111263.6 -987548.51 -890216.64 45100 4575.9014 4575.9014 2963.1768 2963.1768 48.096742 48.096742 48.096742 111262.03 -987512.29 -889032.26 45200 4523.514 4523.514 2378.1199 2378.1199 48.09629 48.09629 48.09629 111258.89 -987544.26 -890191.68 45300 4474.1106 4474.1106 2752.1586 2752.1586 48.096187 48.096187 48.096187 111258.18 -987255.1 -890965.76 45400 4584.795 4584.795 1739.1905 1739.1905 48.096147 48.096147 48.096147 111257.9 -987379.77 -888708.34 45500 4566.2422 4566.2422 3223.8291 3223.8291 48.096095 48.096095 48.096095 111257.54 -987507.6 -889235.45 45600 4533.2065 4533.2065 2376.5507 2376.5507 48.096928 48.096928 48.096928 111263.32 -987519.28 -889958.11 45700 4549.8317 4549.8317 1004.3904 1004.3904 48.097711 48.097711 48.097711 111268.76 -987449.65 -889530.68 45800 4534.0195 4534.0195 2015.9036 2015.9036 48.098448 48.098448 48.098448 111273.87 -987498.42 -889919.76 45900 4555.9636 4555.9636 2063.3216 2063.3216 48.098855 48.098855 48.098855 111276.69 -987420.76 -889369.83 46000 4528.1147 4528.1147 1380.1104 1380.1104 48.098511 48.098511 48.098511 111274.3 -987398.73 -889947.14 46100 4557.1442 4557.1442 2188.3461 2188.3461 48.098351 48.098351 48.098351 111273.2 -987566.85 -889490.5 46200 4508.1511 4508.1511 2089.0808 2089.0808 48.098447 48.098447 48.098447 111273.86 -987654 -890632.06 46300 4472.4513 4472.4513 1138.7891 1138.7891 48.098553 48.098553 48.098553 111274.6 -987576.46 -891322.83 46400 4533.1567 4533.1567 3829.6165 3829.6165 48.099045 48.099045 48.099045 111278.01 -987519.06 -889958.96 46500 4474.6475 4474.6475 830.5481 830.5481 48.099526 48.099526 48.099526 111281.35 -987675.58 -891374.69 46600 4624.5348 4624.5348 2766.9811 2766.9811 48.099693 48.099693 48.099693 111282.51 -987374.54 -887847.86 46700 4559.6416 4559.6416 2239.7183 2239.7183 48.099904 48.099904 48.099904 111283.97 -987566.99 -889436.89 46800 4616.4013 4616.4013 3840.7287 3840.7287 48.100573 48.100573 48.100573 111288.62 -987459.13 -888107.49 46900 4564.7303 4564.7303 2796.6297 2796.6297 48.101956 48.101956 48.101956 111298.22 -987653.13 -889413.52 47000 4537.7374 4537.7374 4029.897 4029.897 48.102905 48.102905 48.102905 111304.8 -987366.74 -889708.06 47100 4462.4318 4462.4318 1964.8234 1964.8234 48.102681 48.102681 48.102681 111303.25 -987404.75 -891366.75 47200 4503.2009 4503.2009 3702.561 3702.561 48.102719 48.102719 48.102719 111303.51 -987548.61 -890633.21 47300 4592.5381 4592.5381 3768.3451 3768.3451 48.102515 48.102515 48.102515 111302.1 -987575.69 -888737.62 47400 4578.9222 4578.9222 3898.656 3898.656 48.101867 48.101867 48.101867 111297.6 -987481.9 -888936.86 47500 4529.9046 4529.9046 2742.0487 2742.0487 48.101469 48.101469 48.101469 111294.83 -987514.78 -890024.68 47600 4532.553 4532.553 2325.0813 2325.0813 48.101901 48.101901 48.101901 111297.84 -987515.7 -889968.59 47700 4600.662 4600.662 1458.4314 1458.4314 48.102252 48.102252 48.102252 111300.27 -987524.04 -888511.13 47800 4529.2904 4529.2904 2394.3048 2394.3048 48.10295 48.10295 48.10295 111305.11 -987463.32 -889986.43 47900 4570.3793 4570.3793 1724.4302 1724.4302 48.103587 48.103587 48.103587 111309.54 -987485.57 -889124.39 48000 4543.6623 4543.6623 2455.0092 2455.0092 48.103831 48.103831 48.103831 111311.23 -987553.8 -889767.6 48100 4560.0894 4560.0894 3189.4265 3189.4265 48.104323 48.104323 48.104323 111314.65 -987460.77 -889321.04 48200 4509.0368 4509.0368 2566.8066 2566.8066 48.104879 48.104879 48.104879 111318.51 -987495.11 -890454.11 48300 4508.1941 4508.1941 2331.0083 2331.0083 48.104693 48.104693 48.104693 111317.22 -987505.54 -890482.67 48400 4540.3055 4540.3055 2263.8678 2263.8678 48.104458 48.104458 48.104458 111315.58 -987344.23 -889630.28 48500 4527.1213 4527.1213 3736.0856 3736.0856 48.104262 48.104262 48.104262 111314.22 -987391.86 -889961.65 48600 4561.7929 4561.7929 3942.4121 3942.4121 48.104306 48.104306 48.104306 111314.53 -987436.95 -889260.56 48700 4535.6719 4535.6719 2079.7881 2079.7881 48.104332 48.104332 48.104332 111314.71 -987520.89 -889906.66 48800 4535.5419 4535.5419 2047.5533 2047.5533 48.104546 48.104546 48.104546 111316.2 -987439.88 -889828.45 48900 4485.7478 4485.7478 2374.4767 2374.4767 48.105264 48.105264 48.105264 111321.18 -987548.93 -891009.14 49000 4538.6305 4538.6305 2437.2364 2437.2364 48.106331 48.106331 48.106331 111328.59 -987651.91 -889974.01 49100 4618.7957 4618.7957 3328.7223 3328.7223 48.106585 48.106585 48.106585 111330.35 -987495.87 -888092.7 49200 4596.705 4596.705 2600.1436 2600.1436 48.107569 48.107569 48.107569 111337.19 -987436.82 -888509.07 49300 4567.5386 4567.5386 3121.196 3121.196 48.107574 48.107574 48.107574 111337.22 -987561.43 -889261.39 49400 4548.274 4548.274 3045.4102 3045.4102 48.107286 48.107286 48.107286 111335.22 -987489.26 -889603.82 49500 4526.1236 4526.1236 1821.6617 1821.6617 48.106927 48.106927 48.106927 111332.72 -987435.63 -890026.9 49600 4543.5591 4543.5591 2092.2767 2092.2767 48.107164 48.107164 48.107164 111334.37 -987521.74 -889737.77 49700 4501.3521 4501.3521 2358.8193 2358.8193 48.10715 48.10715 48.10715 111334.28 -987531.83 -890656.21 49800 4594.1133 4594.1133 2344.2067 2344.2067 48.107636 48.107636 48.107636 111337.65 -987452.55 -888580.58 49900 4513.4508 4513.4508 2280.4389 2280.4389 48.108305 48.108305 48.108305 111342.29 -987429.83 -890293.83 50000 4582.3239 4582.3239 1427.8619 1427.8619 48.109192 48.109192 48.109192 111348.45 -987501.52 -888883.27 50100 4470.6202 4470.6202 1606.2731 1606.2731 48.109822 48.109822 48.109822 111352.83 -987293.33 -891079.1 50200 4509.3963 4509.3963 1600.521 1600.521 48.110193 48.110193 48.110193 111355.4 -987283.47 -890234.73 50300 4523.2973 4523.2973 993.29245 993.29245 48.110153 48.110153 48.110153 111355.13 -987516.68 -890168.77 50400 4582.6089 4582.6089 2950.6838 2950.6838 48.110067 48.110067 48.110067 111354.53 -987365.68 -888741.3 50500 4584.1765 4584.1765 3727.0638 3727.0638 48.110151 48.110151 48.110151 111355.11 -987433.89 -888775.77 50600 4497.5405 4497.5405 2808.0033 2808.0033 48.110375 48.110375 48.110375 111356.67 -987479.73 -890686.14 50700 4499.8234 4499.8234 2045.1396 2045.1396 48.109958 48.109958 48.109958 111353.77 -987345.17 -890502.45 50800 4493.9825 4493.9825 2894.2899 2894.2899 48.109228 48.109228 48.109228 111348.7 -987473.59 -890756.57 50900 4583.0958 4583.0958 2287.5381 2287.5381 48.109253 48.109253 48.109253 111348.88 -987482.45 -888847.59 51000 4496.6078 4496.6078 2716.6116 2716.6116 48.109265 48.109265 48.109265 111348.96 -987529.54 -890756.03 51100 4566.3142 4566.3142 2645.662 2645.662 48.109042 48.109042 48.109042 111347.41 -987451.45 -889177.75 51200 4547.6696 4547.6696 2869.9806 2869.9806 48.108904 48.108904 48.108904 111346.45 -987471.74 -889599.3 51300 4526.8048 4526.8048 2479.9481 2479.9481 48.109214 48.109214 48.109214 111348.61 -987635.17 -890211.77 51400 4506.254 4506.254 2430.8041 2430.8041 48.109687 48.109687 48.109687 111351.89 -987561.52 -890580.41 51500 4501.3488 4501.3488 2530.2075 2530.2075 48.109908 48.109908 48.109908 111353.43 -987412.96 -890537.42 51600 4566.5808 4566.5808 3036.3979 3036.3979 48.110924 48.110924 48.110924 111360.48 -987662.1 -889382.67 51700 4594.5529 4594.5529 3531.7204 3531.7204 48.111959 48.111959 48.111959 111367.67 -987532.61 -888651.18 51800 4580.8559 4580.8559 1679.4061 1679.4061 48.112856 48.112856 48.112856 111373.9 -987515.65 -888929 51900 4557.8445 4557.8445 3384.2414 3384.2414 48.113453 48.113453 48.113453 111378.04 -987534.25 -889442.83 52000 4553.994 4553.994 2079.4821 2079.4821 48.11331 48.11331 48.11331 111377.05 -987431.15 -889422.6 52100 4538.8177 4538.8177 3055.1445 3055.1445 48.112886 48.112886 48.112886 111374.11 -987511.56 -889829.63 52200 4548.2685 4548.2685 2517.5862 2517.5862 48.112814 48.112814 48.112814 111373.61 -987514.45 -889629.12 52300 4501.1163 4501.1163 2810.379 2810.379 48.113046 48.113046 48.113046 111375.22 -987523.29 -890652.74 52400 4527.5245 4527.5245 3664.043 3664.043 48.113928 48.113928 48.113928 111381.34 -987385 -889946.11 52500 4584.6176 4584.6176 1721.5418 1721.5418 48.114738 48.114738 48.114738 111386.97 -987487 -888819.39 52600 4530.8535 4530.8535 4199.0373 4199.0373 48.11503 48.11503 48.11503 111388.99 -987553.58 -890043.05 52700 4524.2125 4524.2125 2313.8139 2313.8139 48.115421 48.115421 48.115421 111391.71 -987333.01 -889965.4 52800 4578.5771 4578.5771 3315.0468 3315.0468 48.115506 48.115506 48.115506 111392.3 -987398.46 -888860.85 52900 4516.9451 4516.9451 2199.9986 2199.9986 48.115568 48.115568 48.115568 111392.73 -987271.48 -890060.28 53000 4546.9253 4546.9253 2662.5245 2662.5245 48.1156 48.1156 48.1156 111392.95 -987449.09 -889592.67 53100 4560.463 4560.463 1955.9582 1955.9582 48.115547 48.115547 48.115547 111392.59 -987432.65 -889284.88 53200 4567.4291 4567.4291 3032.7114 3032.7114 48.115437 48.115437 48.115437 111391.82 -987457.85 -889160.16 53300 4481.5269 4481.5269 2305.6249 2305.6249 48.115119 48.115119 48.115119 111389.61 -987629.66 -891180.71 53400 4568.2475 4568.2475 2863.7081 2863.7081 48.114925 48.114925 48.114925 111388.27 -987551.55 -889236.24 53500 4523.6962 4523.6962 990.46537 990.46537 48.115082 48.115082 48.115082 111389.36 -987532.21 -890175.72 53600 4583.2649 4583.2649 1815.3646 1815.3646 48.115061 48.115061 48.115061 111389.21 -987563.69 -888925.19 53700 4544.7681 4544.7681 3666.8491 3666.8491 48.115468 48.115468 48.115468 111392.04 -987425.67 -889615.68 53800 4492.415 4492.415 2338.6304 2338.6304 48.11628 48.11628 48.11628 111397.68 -987378.67 -890695.39 53900 4537.2738 4537.2738 3895.8616 3895.8616 48.116647 48.116647 48.116647 111400.22 -987455.18 -889806.47 54000 4538.9738 4538.9738 3019.3517 3019.3517 48.117053 48.117053 48.117053 111403.04 -987466.91 -889781.62 54100 4528.8906 4528.8906 2211.792 2211.792 48.117287 48.117287 48.117287 111404.67 -987466.89 -889998.6 54200 4561.1368 4561.1368 2719.2598 2719.2598 48.117516 48.117516 48.117516 111406.26 -987346.28 -889184.01 54300 4568.2581 4568.2581 1262.9222 1262.9222 48.117681 48.117681 48.117681 111407.41 -987530.2 -889214.67 54400 4569.9722 4569.9722 4020.6338 4020.6338 48.117909 48.117909 48.117909 111408.99 -987481.76 -889129.33 54500 4548.5209 4548.5209 1428.7693 1428.7693 48.11797 48.11797 48.11797 111409.41 -987410.78 -889520.02 54600 4564.3707 4564.3707 3491.4251 3491.4251 48.117966 48.117966 48.117966 111409.39 -987481.87 -889250 54700 4529.6045 4529.6045 3022.9797 3022.9797 48.117997 48.117997 48.117997 111409.6 -987482.81 -889999.16 54800 4491.8017 4491.8017 1931.5164 1931.5164 48.118206 48.118206 48.118206 111411.05 -987319.65 -890649.57 54900 4502.2581 4502.2581 1880.2958 1880.2958 48.118432 48.118432 48.118432 111412.63 -987419.62 -890524.5 55000 4490.3729 4490.3729 1818.7174 1818.7174 48.118409 48.118409 48.118409 111412.46 -987418.63 -890779.3 55100 4562.1068 4562.1068 2275.8253 2275.8253 48.118227 48.118227 48.118227 111411.2 -987341.67 -889158.52 55200 4498.4438 4498.4438 1776.4062 1776.4062 48.11835 48.11835 48.11835 111412.05 -987492.8 -890679.77 55300 4606.2703 4606.2703 3411.7047 3411.7047 48.118731 48.118731 48.118731 111414.7 -987349.92 -888216.31 55400 4584.5209 4584.5209 2391.32 2391.32 48.119178 48.119178 48.119178 111417.81 -987347.41 -888681.88 55500 4581.307 4581.307 1750.3666 1750.3666 48.119367 48.119367 48.119367 111419.12 -987305.6 -888709.24 55600 4494.3962 4494.3962 3577.9364 3577.9364 48.119304 48.119304 48.119304 111418.68 -987404.28 -890678.36 55700 4481.0509 4481.0509 2941.4901 2941.4901 48.11935 48.11935 48.11935 111419 -987483.99 -891045.29 55800 4581.234 4581.234 1217.4326 1217.4326 48.119382 48.119382 48.119382 111419.22 -987562.04 -888967.24 55900 4588.0979 4588.0979 3588.554 3588.554 48.119021 48.119021 48.119021 111416.71 -987490.75 -888748.24 56000 4448.3062 4448.3062 971.1071 971.1071 48.11916 48.11916 48.11916 111417.68 -987413.6 -891679.61 56100 4561.4867 4561.4867 2722.9939 2722.9939 48.118711 48.118711 48.118711 111414.56 -987341.03 -889171.23 56200 4511.2905 4511.2905 1651.3489 1651.3489 48.119221 48.119221 48.119221 111418.1 -987324.26 -890234.75 56300 4597.6372 4597.6372 1658.0772 1658.0772 48.120228 48.120228 48.120228 111425.1 -987419.88 -888472.07 56400 4528.3321 4528.3321 3431.8569 3431.8569 48.121167 48.121167 48.121167 111431.62 -987367.87 -889911.61 56500 4515.8456 4515.8456 1911.2109 1911.2109 48.121488 48.121488 48.121488 111433.85 -987373.42 -890185.88 56600 4470.9284 4470.9284 3570.5358 3570.5358 48.121026 48.121026 48.121026 111430.64 -987408.49 -891187.63 56700 4456.6392 4456.6392 2085.5691 2085.5691 48.121032 48.121032 48.121032 111430.69 -987495.67 -891582.33 56800 4556.7514 4556.7514 1410.9992 1410.9992 48.120743 48.120743 48.120743 111428.68 -987366.34 -889298.44 56900 4528.0238 4528.0238 3665.6417 3665.6417 48.120676 48.120676 48.120676 111428.21 -987426.5 -889976.87 57000 4534.9781 4534.9781 2752.1397 2752.1397 48.121023 48.121023 48.121023 111430.62 -987435.39 -889836.1 57100 4506.4272 4506.4272 3227.6171 3227.6171 48.121294 48.121294 48.121294 111432.5 -987413.48 -890428.64 57200 4456.9237 4456.9237 1324.9576 1324.9576 48.121643 48.121643 48.121643 111434.93 -987547 -891627.54 57300 4494.8724 4494.8724 2098.2794 2098.2794 48.12212 48.12212 48.12212 111438.24 -987344.45 -890608.28 57400 4512.5624 4512.5624 1975.4274 1975.4274 48.122024 48.122024 48.122024 111437.58 -987495.17 -890378.29 57500 4499.5141 4499.5141 2923.2457 2923.2457 48.121471 48.121471 48.121471 111433.73 -987436.82 -890600.76 57600 4483.165 4483.165 2309.1841 2309.1841 48.120944 48.120944 48.120944 111430.08 -987529.13 -891044.92 57700 4563.1932 4563.1932 3240.9156 3240.9156 48.121196 48.121196 48.121196 111431.83 -987421.97 -889215.44 57800 4503.4959 4503.4959 1624.0591 1624.0591 48.121593 48.121593 48.121593 111434.58 -987396.26 -890474.5 57900 4546.5426 4546.5426 2169.5345 2169.5345 48.122469 48.122469 48.122469 111440.67 -987529.01 -889680.83 58000 4577.9056 4577.9056 2225.5954 2225.5954 48.12306 48.12306 48.12306 111444.78 -987581.15 -889057.99 58100 4558.7021 4558.7021 2342.6485 2342.6485 48.123079 48.123079 48.123079 111444.91 -987507.41 -889397.54 58200 4549.1173 4549.1173 3848.6161 3848.6161 48.123315 48.123315 48.123315 111446.54 -987379.72 -889476.13 58300 4551.7626 4551.7626 2700.5067 2700.5067 48.123257 48.123257 48.123257 111446.14 -987491.63 -889531.1 58400 4517.3097 4517.3097 1181.0678 1181.0678 48.123527 48.123527 48.123527 111448.02 -987402.72 -890183.67 58500 4557.3466 4557.3466 2957.5241 2957.5241 48.123019 48.123019 48.123019 111444.49 -987296.9 -889216.2 58600 4540.1353 4540.1353 2791.4578 2791.4578 48.122599 48.122599 48.122599 111441.57 -987549.65 -889839.36 58700 4494.2231 4494.2231 3230.2427 3230.2427 48.122614 48.122614 48.122614 111441.68 -987516.76 -890794.57 58800 4570.7508 4570.7508 3919.5296 3919.5296 48.122843 48.122843 48.122843 111443.26 -987298.97 -888929.79 58900 4505.4986 4505.4986 2682.4192 2682.4192 48.123347 48.123347 48.123347 111446.77 -987568.91 -890604.06 59000 4578.6544 4578.6544 2900.3917 2900.3917 48.123887 48.123887 48.123887 111450.52 -987482.62 -888943.34 59100 4527.4053 4527.4053 1558.6897 1558.6897 48.124507 48.124507 48.124507 111454.83 -987372.82 -889936.49 59200 4578.6109 4578.6109 3374.1683 3374.1683 48.125238 48.125238 48.125238 111459.91 -987436.5 -888898.16 59300 4462.1459 4462.1459 1570.0406 1570.0406 48.125002 48.125002 48.125002 111458.27 -987413.3 -891381.46 59400 4539.1427 4539.1427 2167.0952 2167.0952 48.124903 48.124903 48.124903 111457.58 -987396.29 -889707.37 59500 4517.1327 4517.1327 1921.8791 1921.8791 48.124855 48.124855 48.124855 111457.24 -987478.05 -890262.81 59600 4502.1341 4502.1341 2573.353 2573.353 48.124791 48.124791 48.124791 111456.8 -987496.95 -890604.5 59700 4469.5442 4469.5442 3393.3692 3393.3692 48.124855 48.124855 48.124855 111457.25 -987535.9 -891344.84 59800 4512.0832 4512.0832 3239.1415 3239.1415 48.125223 48.125223 48.125223 111459.8 -987412.24 -890305.67 59900 4506.7298 4506.7298 3367.598 3367.598 48.125117 48.125117 48.125117 111459.06 -987308.28 -890316.92 60000 4485.1189 4485.1189 799.10499 799.10499 48.125253 48.125253 48.125253 111460.01 -987245.61 -890719.35 Loop time of 1332.3 on 24 procs for 20000 steps with 7221 atoms Performance: 0.649 ns/day, 37.008 hours/ns, 15.012 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 719.17 | 763.31 | 789.85 | 66.1 | 57.29 Bond | 0.0044901 | 0.0069527 | 0.009846 | 1.5 | 0.00 Neigh | 0.044796 | 0.046283 | 0.047403 | 0.3 | 0.00 Comm | 10.935 | 36.26 | 80.4 | 299.5 | 2.72 Output | 0.048206 | 0.049725 | 0.081687 | 3.0 | 0.00 Modify | 530.71 | 531.96 | 534.15 | 5.4 | 39.93 Other | | 0.6719 | | | 0.05 Nlocal: 300.875 ave 317 max 284 min Histogram: 1 0 4 4 5 4 0 1 2 3 Nghost: 4189.54 ave 4227 max 4135 min Histogram: 2 0 0 3 2 3 5 5 2 2 Neighs: 116328 ave 123519 max 110736 min Histogram: 3 2 3 5 3 1 1 3 1 2 Total # of neighbors = 2791868 Ave neighs/atom = 386.632 Ave special neighs/atom = 0 Neighbor list builds = 2 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 60000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.6 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 60000 4485.1189 4485.1189 799.20823 799.20823 48.125253 48.125253 48.125253 111460.01 -987245.61 -890719.35 60100 4524.2809 4524.2809 2051.0959 2051.0959 48.13197 48.13197 48.13197 111506.69 -986232.21 -888863.13 60200 4497.1637 4497.1637 -59.849803 -59.849803 48.142352 48.142352 48.142352 111578.86 -986971.61 -890186.14 60300 4599.6593 4599.6593 1508.2971 1508.2971 48.149196 48.149196 48.149196 111626.45 -987091.1 -888099.77 60400 4522.5806 4522.5806 -75.21476 -75.21476 48.150724 48.150724 48.150724 111637.08 -987142.1 -889809.61 60500 4568.552 4568.552 1411.5275 1411.5275 48.148332 48.148332 48.148332 111620.45 -987155.61 -888833.75 60600 4509.1114 4509.1114 445.01366 445.01366 48.144674 48.144674 48.144674 111595.01 -987150.3 -890107.69 60700 4487.2368 4487.2368 720.46 720.46 48.141347 48.141347 48.141347 111571.87 -987150.99 -890579.16 60800 4531.5294 4531.5294 2226.2795 2226.2795 48.139293 48.139293 48.139293 111557.59 -987339.22 -889814.15 60900 4553.331 4553.331 1038.4493 1038.4493 48.138872 48.138872 48.138872 111554.66 -987363 -889368.72 61000 4577.8421 4577.8421 3321.9075 3321.9075 48.139739 48.139739 48.139739 111560.69 -987437.76 -888915.97 61100 4561.4423 4561.4423 2813.9384 2813.9384 48.141856 48.141856 48.141856 111575.41 -987224.72 -889055.87 61200 4500.0222 4500.0222 563.99141 563.99141 48.144258 48.144258 48.144258 111592.11 -987347.6 -890500.6 61300 4529.2646 4529.2646 1387.6325 1387.6325 48.146074 48.146074 48.146074 111604.74 -987466.18 -889989.85 61400 4605.6207 4605.6207 1712.8098 1712.8098 48.147627 48.147627 48.147627 111615.54 -987295.61 -888175.98 61500 4549.5269 4549.5269 1271.439 1271.439 48.148424 48.148424 48.148424 111621.09 -987336.53 -889424.12 61600 4489.5306 4489.5306 1411.4241 1411.4241 48.148193 48.148193 48.148193 111619.47 -987303.81 -890682.61 61700 4525.7445 4525.7445 490.16674 490.16674 48.147595 48.147595 48.147595 111615.32 -987341.31 -889940.73 61800 4558.3501 4558.3501 2347.3052 2347.3052 48.147693 48.147693 48.147693 111616 -987350.16 -889247.86 61900 4489.9985 4489.9985 945.18388 945.18388 48.147503 48.147503 48.147503 111614.68 -987347.08 -890715.81 62000 4516.894 4516.894 164.00944 164.00944 48.147896 48.147896 48.147896 111617.41 -987358.29 -890148.19 62100 4511.3696 4511.3696 1081.9221 1081.9221 48.148379 48.148379 48.148379 111620.77 -987416.83 -890325.62 62200 4571.4435 4571.4435 1028.3982 1028.3982 48.149331 48.149331 48.149331 111627.39 -987327.71 -888943.62 62300 4520.9028 4520.9028 2019.4568 2019.4568 48.149876 48.149876 48.149876 111631.18 -987279.89 -889983.51 62400 4575.0073 4575.0073 2385.0642 2385.0642 48.150325 48.150325 48.150325 111634.3 -987240.2 -888779.42 62500 4563.4465 4563.4465 1151.3393 1151.3393 48.150707 48.150707 48.150707 111636.96 -987181.02 -888969.05 62600 4522.7652 4522.7652 814.9058 814.9058 48.151094 48.151094 48.151094 111639.65 -987395.09 -890058.63 62700 4585.2271 4585.2271 1717.2101 1717.2101 48.15148 48.15148 48.15148 111642.34 -987158.11 -888477.38 62800 4542.0372 4542.0372 831.62697 831.62697 48.151334 48.151334 48.151334 111641.33 -987299.3 -889548.08 62900 4556.3004 4556.3004 1480.8871 1480.8871 48.150968 48.150968 48.150968 111638.78 -987419.77 -889361.58 63000 4510.5577 4510.5577 955.6381 955.6381 48.151108 48.151108 48.151108 111639.75 -987318.1 -890244.37 63100 4604.4137 4604.4137 3170.3117 3170.3117 48.150996 48.150996 48.150996 111638.97 -987426.62 -888332.96 63200 4583.0311 4583.0311 1319.5065 1319.5065 48.151312 48.151312 48.151312 111641.17 -987454.88 -888821.42 63300 4527.7146 4527.7146 662.55 662.55 48.151666 48.151666 48.151666 111643.63 -987277.48 -889834.5 63400 4577.1498 4577.1498 2312.059 2312.059 48.151954 48.151954 48.151954 111645.63 -987216.62 -888709.72 63500 4598.5836 4598.5836 1270.4957 1270.4957 48.152764 48.152764 48.152764 111651.27 -987288.26 -888320.08 63600 4533.8877 4533.8877 1112.6384 1112.6384 48.153666 48.153666 48.153666 111657.54 -987122.9 -889547.07 63700 4486.2028 4486.2028 1699.782 1699.782 48.154117 48.154117 48.154117 111660.68 -987292.03 -890742.45 63800 4572.7391 4572.7391 524.31144 524.31144 48.154493 48.154493 48.154493 111663.3 -987312.07 -888900.1 63900 4514.1397 4514.1397 1227.8456 1227.8456 48.154525 48.154525 48.154525 111663.52 -987262.6 -890111.78 64000 4519.7813 4519.7813 1627.4726 1627.4726 48.154565 48.154565 48.154565 111663.8 -987395.92 -890123.68 64100 4526.5887 4526.5887 1536.0844 1536.0844 48.154365 48.154365 48.154365 111662.4 -987457.8 -890039.05 64200 4547.1073 4547.1073 224.88944 224.88944 48.154578 48.154578 48.154578 111663.89 -987268.05 -889407.72 64300 4511.0629 4511.0629 2657.8949 2657.8949 48.154322 48.154322 48.154322 111662.11 -987410.07 -890325.46 64400 4557.2857 4557.2857 1325.2305 1325.2305 48.154471 48.154471 48.154471 111663.15 -987400.53 -889321.14 64500 4600.5844 4600.5844 1565.8601 1565.8601 48.154796 48.154796 48.154796 111665.4 -987408.1 -888396.86 64600 4550.9231 4550.9231 1702.781 1702.781 48.155022 48.155022 48.155022 111666.98 -987186.99 -889244.54 64700 4545.5874 4545.5874 1605.5389 1605.5389 48.155457 48.155457 48.155457 111670 -987148.27 -889320.64 64800 4463.8414 4463.8414 1874.8042 1874.8042 48.155869 48.155869 48.155869 111672.87 -987289.1 -891220.76 64900 4454.4203 4454.4203 607.06238 607.06238 48.156657 48.156657 48.156657 111678.35 -987252.52 -891386.94 65000 4546.7915 4546.7915 1075.2443 1075.2443 48.157165 48.157165 48.157165 111681.88 -987277.91 -889424.37 65100 4519.6587 4519.6587 532.74302 532.74302 48.157289 48.157289 48.157289 111682.75 -987409.74 -890140.13 65200 4585.5524 4585.5524 2153.0623 2153.0623 48.157233 48.157233 48.157233 111682.36 -987313.21 -888625.48 65300 4583.2465 4583.2465 1404.808 1404.808 48.157068 48.157068 48.157068 111681.21 -987185.44 -888547.34 65400 4553.2707 4553.2707 2563.2697 2563.2697 48.156932 48.156932 48.156932 111680.26 -987186.84 -889193.85 65500 4540.1983 4540.1983 2157.2897 2157.2897 48.157197 48.157197 48.157197 111682.11 -987314.85 -889603.21 65600 4561.6928 4561.6928 536.13467 536.13467 48.157197 48.157197 48.157197 111682.11 -987288.81 -889114.57 65700 4457.9667 4457.9667 23.300204 23.300204 48.156864 48.156864 48.156864 111679.79 -987332.45 -891390.55 65800 4555.7433 4555.7433 1363.7989 1363.7989 48.156565 48.156565 48.156565 111677.71 -987460.3 -889414.1 65900 4581.3527 4581.3527 2812.1329 2812.1329 48.156862 48.156862 48.156862 111679.78 -987252.33 -888654.98 66000 4495.4062 4495.4062 716.65161 716.65161 48.157519 48.157519 48.157519 111684.35 -987190.1 -890442.45 66100 4588.4139 4588.4139 2268.6697 2268.6697 48.158342 48.158342 48.158342 111690.07 -987309.68 -888560.36 66200 4579.238 4579.238 1246.2667 1246.2667 48.159464 48.159464 48.159464 111697.88 -987290.7 -888738.87 66300 4581.4537 4581.4537 2134.1632 2134.1632 48.159839 48.159839 48.159839 111700.49 -987363.27 -888763.75 66400 4518.0234 4518.0234 2089.6275 2089.6275 48.159757 48.159757 48.159757 111699.92 -987313.29 -890078.88 66500 4542.293 4542.293 892.27918 892.27918 48.159741 48.159741 48.159741 111699.81 -987170.63 -889413.9 66600 4529.3986 4529.3986 1739.5743 1739.5743 48.159463 48.159463 48.159463 111697.87 -987242.25 -889763.03 66700 4526.4556 4526.4556 -18.299429 -18.299429 48.159451 48.159451 48.159451 111697.79 -987266.1 -889850.22 66800 4592.6727 4592.6727 1698.4101 1698.4101 48.159108 48.159108 48.159108 111695.41 -987286.1 -888445.13 66900 4572.8826 4572.8826 1524.4401 1524.4401 48.159404 48.159404 48.159404 111697.47 -987265.14 -888850.08 67000 4545.5353 4545.5353 2189.1086 2189.1086 48.15997 48.15997 48.15997 111701.4 -987254.02 -889427.52 67100 4526.2311 4526.2311 978.49768 978.49768 48.160596 48.160596 48.160596 111705.76 -987335.95 -889924.9 67200 4493.1305 4493.1305 311.37578 311.37578 48.160931 48.160931 48.160931 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2355.2142 2355.2142 48.163242 48.163242 48.163242 111724.17 -987296.92 -889781.93 69200 4558.6175 4558.6175 891.52662 891.52662 48.163601 48.163601 48.163601 111726.67 -987259.41 -889151.36 69300 4553.2888 4553.2888 525.48587 525.48587 48.16405 48.16405 48.16405 111729.8 -987402.37 -889409 69400 4556.5832 4556.5832 1904.455 1904.455 48.16444 48.16444 48.16444 111732.51 -987340.95 -889276.68 69500 4520.3815 4520.3815 1763.4766 1763.4766 48.164976 48.164976 48.164976 111736.24 -987275.51 -889990.35 69600 4525.9124 4525.9124 977.79527 977.79527 48.165153 48.165153 48.165153 111737.47 -987383.5 -889979.31 69700 4524.0527 4524.0527 1616.6175 1616.6175 48.165107 48.165107 48.165107 111737.15 -987374.31 -890010.14 69800 4514.0336 4514.0336 1278.5411 1278.5411 48.164849 48.164849 48.164849 111735.35 -987316.49 -890167.95 69900 4555.777 4555.777 2381.5523 2381.5523 48.164758 48.164758 48.164758 111734.72 -987264.05 -889217.13 70000 4525.1156 4525.1156 2179.8173 2179.8173 48.164874 48.164874 48.164874 111735.53 -987358.28 -889971.24 70100 4534.6428 4534.6428 866.89251 866.89251 48.164424 48.164424 48.164424 111732.39 -987294.89 -889702.8 70200 4531.2947 4531.2947 1009.3012 1009.3012 48.164246 48.164246 48.164246 111731.16 -987290.02 -889769.99 70300 4482.1252 4482.1252 1723.8468 1723.8468 48.164476 48.164476 48.164476 111732.76 -987205.16 -890743.33 70400 4592.4844 4592.4844 1522.4227 1522.4227 48.16481 48.16481 48.16481 111735.08 -987247.17 -888410.26 70500 4551.4483 4551.4483 1636.964 1636.964 48.165526 48.165526 48.165526 111740.06 -987319 -889365.24 70600 4546.5875 4546.5875 2075.9896 2075.9896 48.166341 48.166341 48.166341 111745.74 -987227.93 -889378.79 70700 4527.4269 4527.4269 1850.9941 1850.9941 48.167207 48.167207 48.167207 111751.76 -987222.12 -889785.33 70800 4556.9037 4556.9037 684.14556 684.14556 48.167405 48.167405 48.167405 111753.15 -987338.23 -889267.06 70900 4593.0857 4593.0857 455.91703 455.91703 48.166994 48.166994 48.166994 111750.28 -987287.62 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845.73317 48.168571 48.168571 48.168571 111761.26 -987375.78 -890331.07 72000 4527.0236 4527.0236 119.86055 119.86055 48.168779 48.168779 48.168779 111762.71 -987272.47 -889844.37 72100 4572.1159 4572.1159 1313.6968 1313.6968 48.168341 48.168341 48.168341 111759.66 -987382.69 -888984.13 72200 4586.1172 4586.1172 2113.213 2113.213 48.168082 48.168082 48.168082 111757.86 -987240.19 -888540.31 72300 4590.0363 4590.0363 2481.4703 2481.4703 48.167854 48.167854 48.167854 111756.27 -987205.74 -888421.51 72400 4496.9444 4496.9444 832.42656 832.42656 48.168088 48.168088 48.168088 111757.9 -987194.94 -890414.19 72500 4550.8271 4550.8271 1019.2139 1019.2139 48.168527 48.168527 48.168527 111760.96 -987293.76 -889353.37 72600 4597.5406 4597.5406 2589.1996 2589.1996 48.168617 48.168617 48.168617 111761.58 -987266.53 -888320.8 72700 4575.488 4575.488 1451.7263 1451.7263 48.168808 48.168808 48.168808 111762.91 -987242.64 -888771.51 72800 4547.7707 4547.7707 3467.5329 3467.5329 48.168556 48.168556 48.168556 111761.15 -987237.32 -889362.71 72900 4553.4722 4553.4722 2038.8334 2038.8334 48.16824 48.16824 48.16824 111758.96 -987235.81 -889238.49 73000 4578.2007 4578.2007 1930.351 1930.351 48.168553 48.168553 48.168553 111761.14 -987396.71 -888867.2 73100 4479.366 4479.366 830.67773 830.67773 48.169346 48.169346 48.169346 111766.65 -987246.73 -890844.28 73200 4536.9919 4536.9919 909.13866 909.13866 48.169772 48.169772 48.169772 111769.62 -987314.34 -889671.7 73300 4570.9321 4570.9321 1828.5663 1828.5663 48.169844 48.169844 48.169844 111770.12 -987371.89 -888998.81 73400 4541.9695 4541.9695 857.23299 857.23299 48.169697 48.169697 48.169697 111769.1 -987245.61 -889495.85 73500 4549.8183 4549.8183 -703.32573 -703.32573 48.169558 48.169558 48.169558 111768.13 -987220.55 -889301.87 73600 4565.8545 4565.8545 1916.631 1916.631 48.169325 48.169325 48.169325 111766.51 -987238.42 -888974.61 73700 4534.5168 4534.5168 2568.2064 2568.2064 48.169182 48.169182 48.169182 111765.51 -987330.19 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4575.1785 2311.7433 2311.7433 48.171139 48.171139 48.171139 111779.14 -987281.05 -888816.58 74800 4523.1299 4523.1299 1395.4424 1395.4424 48.170016 48.170016 48.170016 111771.32 -987250.23 -889905.93 74900 4514.7649 4514.7649 1851.6809 1851.6809 48.169165 48.169165 48.169165 111765.39 -987303.88 -890139.6 75000 4547.657 4547.657 955.24927 955.24927 48.169274 48.169274 48.169274 111766.16 -987223.36 -889351.19 75100 4475.357 4475.357 1549.9382 1549.9382 48.169621 48.169621 48.169621 111768.57 -987369.21 -891053.04 75200 4553.8149 4553.8149 1739.669 1739.669 48.170544 48.170544 48.170544 111774.99 -987089 -889084.3 75300 4565.3423 4565.3423 2408.195 2408.195 48.171239 48.171239 48.171239 111779.83 -987237.19 -888984.41 75400 4484.4899 4484.4899 -295.25631 -295.25631 48.172075 48.172075 48.172075 111785.65 -987330.59 -890817.87 75500 4574.6249 4574.6249 787.20995 787.20995 48.172766 48.172766 48.172766 111790.46 -987288.17 -888835.62 75600 4494.8284 4494.8284 1038.9992 1038.9992 48.172722 48.172722 48.172722 111790.15 -987333.08 -890597.86 75700 4576.4264 4576.4264 2252.8069 2252.8069 48.172456 48.172456 48.172456 111788.31 -987320.99 -888829.66 75800 4571.0447 4571.0447 2622.651 2622.651 48.172545 48.172545 48.172545 111788.92 -987224.32 -888848.82 75900 4532.4541 4532.4541 1398.7994 1398.7994 48.172371 48.172371 48.172371 111787.71 -987258.53 -889713.55 76000 4543.911 4543.911 1354.2298 1354.2298 48.171859 48.171859 48.171859 111784.15 -987334.85 -889543.3 76100 4546.1068 4546.1068 1259.1935 1259.1935 48.171538 48.171538 48.171538 111781.91 -987219.98 -889381.18 76200 4597.771 4597.771 1422.8597 1422.8597 48.171523 48.171523 48.171523 111781.81 -987297.62 -888346.92 76300 4571.5625 4571.5625 586.27207 586.27207 48.172104 48.172104 48.172104 111785.85 -987066.41 -888679.77 76400 4499.3281 4499.3281 284.63945 284.63945 48.172332 48.172332 48.172332 111787.44 -987273.65 -890441.59 76500 4587.4866 4587.4866 2862.1123 2862.1123 48.172255 48.172255 48.172255 111786.9 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1800.8616 1800.8616 48.173066 48.173066 48.173066 111792.55 -987247.79 -889059.98 77600 4548.1796 4548.1796 1295.2923 1295.2923 48.172912 48.172912 48.172912 111791.48 -987401.29 -889517.88 77700 4555.8541 4555.8541 2374.7608 2374.7608 48.172696 48.172696 48.172696 111789.97 -987213.3 -889164.72 77800 4568.7407 4568.7407 1350.5626 1350.5626 48.172842 48.172842 48.172842 111790.99 -987064.5 -888738.58 77900 4503.5792 4503.5792 247.41868 247.41868 48.172888 48.172888 48.172888 111791.31 -987108.07 -890184.52 78000 4550.5463 4550.5463 1352.9659 1352.9659 48.17309 48.17309 48.17309 111792.72 -987212.71 -889278.37 78100 4526.3422 4526.3422 1099.3739 1099.3739 48.173089 48.173089 48.173089 111792.71 -987262.2 -889848.76 78200 4501.0042 4501.0042 1044.0789 1044.0789 48.173416 48.173416 48.173416 111794.99 -987257.18 -890389.05 78300 4490.8811 4490.8811 1540.7073 1540.7073 48.173757 48.173757 48.173757 111797.36 -987332.23 -890681.96 78400 4594.4777 4594.4777 1570.9774 1570.9774 48.17399 48.17399 48.17399 111798.99 -987242.93 -888363.11 78500 4584.0884 4584.0884 2266.5777 2266.5777 48.173793 48.173793 48.173793 111797.61 -987339.99 -888683.77 78600 4600.1492 4600.1492 2281.6065 2281.6065 48.173573 48.173573 48.173573 111796.08 -987402.58 -888400.71 78700 4544.6447 4544.6447 1830.1091 1830.1091 48.173596 48.173596 48.173596 111796.24 -987429.02 -889621.69 78800 4575.3473 4575.3473 1752.521 1752.521 48.17394 48.17394 48.17394 111798.63 -987293.01 -888824.91 78900 4586.4283 4586.4283 619.56248 619.56248 48.174397 48.174397 48.174397 111801.82 -987264.15 -888557.57 79000 4537.1484 4537.1484 1752.8595 1752.8595 48.174782 48.174782 48.174782 111804.5 -987199.92 -889553.92 79100 4520.3238 4520.3238 3014.2893 3014.2893 48.175271 48.175271 48.175271 111807.9 -987227.37 -889943.46 79200 4589.7986 4589.7986 596.91441 596.91441 48.175982 48.175982 48.175982 111812.86 -987270.33 -888491.21 79300 4488.5089 4488.5089 1344.6918 1344.6918 48.176354 48.176354 48.176354 111815.45 -987238.34 -890639.13 79400 4578.1341 4578.1341 2945.6877 2945.6877 48.176011 48.176011 48.176011 111813.05 -987231.45 -888703.37 79500 4584.7726 4584.7726 2026.8442 2026.8442 48.175862 48.175862 48.175862 111812.02 -987432.2 -888761.25 79600 4493.8187 4493.8187 2121.121 2121.121 48.17587 48.17587 48.17587 111812.07 -987217.06 -890503.57 79700 4571.0717 4571.0717 685.37099 685.37099 48.175498 48.175498 48.175498 111809.48 -987133.05 -888756.96 79800 4559.3482 4559.3482 2038.9155 2038.9155 48.175422 48.175422 48.175422 111808.95 -987192.03 -889068.25 79900 4543.7561 4543.7561 2628.3682 2628.3682 48.175203 48.175203 48.175203 111807.43 -987246.55 -889458.34 80000 4503.7592 4503.7592 114.36074 114.36074 48.175213 48.175213 48.175213 111807.5 -987278.39 -890350.97 Loop time of 1326.76 on 24 procs for 20000 steps with 7221 atoms Performance: 0.651 ns/day, 36.854 hours/ns, 15.074 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 716.14 | 760.51 | 786.56 | 66.5 | 57.32 Bond | 0.0047686 | 0.0069417 | 0.0094965 | 1.4 | 0.00 Neigh | 0.044808 | 0.046213 | 0.047441 | 0.3 | 0.00 Comm | 10.875 | 35.807 | 81.073 | 309.4 | 2.70 Output | 0.051018 | 0.052568 | 0.084645 | 2.9 | 0.00 Modify | 528.48 | 529.68 | 531.69 | 5.1 | 39.92 Other | | 0.6598 | | | 0.05 Nlocal: 300.875 ave 317 max 283 min Histogram: 1 0 4 5 2 4 2 1 2 3 Nghost: 4180.75 ave 4217 max 4123 min Histogram: 2 0 1 1 2 4 2 8 2 2 Neighs: 115941 ave 122658 max 110055 min Histogram: 2 3 1 6 3 2 0 3 1 3 Total # of neighbors = 2782576 Ave neighs/atom = 385.345 Ave special neighs/atom = 0 Neighbor list builds = 2 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 80000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.5 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 80000 4503.7592 4503.7592 114.31432 114.31432 48.175213 48.175213 48.175213 111807.5 -987278.39 -890350.97 80100 4589.5139 4589.5139 223.80688 223.80688 48.179945 48.179945 48.179945 111840.45 -986159.97 -887386.98 80200 4463.0374 4463.0374 991.09078 991.09078 48.186608 48.186608 48.186608 111886.86 -986744.11 -890693.08 80300 4500.3056 4500.3056 -1062.0813 -1062.0813 48.189875 48.189875 48.189875 111909.61 -986919.09 -890065.99 80400 4503.6903 4503.6903 878.50131 878.50131 48.18887 48.18887 48.18887 111902.61 -987052.33 -890126.39 80500 4532.4128 4532.4128 -180.73745 -180.73745 48.185505 48.185505 48.185505 111879.17 -986990.74 -889446.65 80600 4513.699 4513.699 1470.6626 1470.6626 48.181553 48.181553 48.181553 111851.65 -987149.46 -890008.11 80700 4489.7152 4489.7152 829.49049 829.49049 48.17893 48.17893 48.17893 111833.38 -987081.36 -890456.19 80800 4564.3519 4564.3519 -1011.7318 -1011.7318 48.178074 48.178074 48.178074 111827.42 -987227.41 -888995.95 80900 4614.2342 4614.2342 1979.5159 1979.5159 48.178329 48.178329 48.178329 111829.2 -987345.32 -888040.31 81000 4506.8242 4506.8242 1371.5001 1371.5001 48.179854 48.179854 48.179854 111839.81 -987232.62 -890239.23 81100 4492.012 4492.012 -589.23706 -589.23706 48.182024 48.182024 48.182024 111854.93 -987304.34 -890629.73 81200 4575.73 4575.73 1395.7052 1395.7052 48.184249 48.184249 48.184249 111870.42 -987236.73 -888760.39 81300 4497.3846 4497.3846 912.04473 912.04473 48.186281 48.186281 48.186281 111884.58 -987087.15 -890296.92 81400 4584.3524 4584.3524 1638.6161 1638.6161 48.187458 48.187458 48.187458 111892.78 -987196.16 -888534.26 81500 4562.2902 4562.2902 -608.87378 -608.87378 48.187805 48.187805 48.187805 111895.19 -987235.6 -889048.5 81600 4515.8016 4515.8016 1500.6939 1500.6939 48.187594 48.187594 48.187594 111893.72 -987300.27 -890113.68 81700 4540.8453 4540.8453 931.56679 931.56679 48.187234 48.187234 48.187234 111891.22 -987182.33 -889456.76 81800 4509.6676 4509.6676 992.59783 992.59783 48.187159 48.187159 48.187159 111890.69 -987156.82 -890102.24 81900 4527.0874 4527.0874 627.20694 627.20694 48.186892 48.186892 48.186892 111888.83 -987246.89 -889817.41 82000 4489.655 4489.655 1419.3961 1419.3961 48.18654 48.18654 48.18654 111886.38 -987309.55 -890685.67 82100 4575.9247 4575.9247 489.73374 489.73374 48.186846 48.186846 48.186846 111888.51 -987357.79 -888877.26 82200 4535.733 4535.733 316.46152 316.46152 48.187621 48.187621 48.187621 111893.91 -987238.29 -889622.74 82300 4543.1017 4543.1017 1110.6613 1110.6613 48.188184 48.188184 48.188184 111897.84 -987109.99 -889335.86 82400 4539.8457 4539.8457 -278.53583 -278.53583 48.188666 48.188666 48.188666 111901.19 -987316.24 -889612.18 82500 4554.8756 4554.8756 -18.398215 -18.398215 48.188544 48.188544 48.188544 111900.34 -987150.32 -889122.8 82600 4580.4833 4580.4833 1743.4505 1743.4505 48.188034 48.188034 48.188034 111896.79 -987417.53 -888838.89 82700 4549.6531 4549.6531 2335.3363 2335.3363 48.187784 48.187784 48.187784 111895.05 -987111.03 -889195.91 82800 4574.6402 4574.6402 2793.4369 2793.4369 48.188086 48.188086 48.188086 111897.15 -987125.3 -888672.41 82900 4523.3251 4523.3251 1071.7188 1071.7188 48.188964 48.188964 48.188964 111903.27 -987221.55 -889873.04 83000 4546.3298 4546.3298 -230.34366 -230.34366 48.189404 48.189404 48.189404 111906.33 -987256.07 -889412.47 83100 4517.7504 4517.7504 1237.8913 1237.8913 48.189244 48.189244 48.189244 111905.22 -987139.53 -889911 83200 4560.1515 4560.1515 804.42949 804.42949 48.189341 48.189341 48.189341 111905.9 -986937.41 -888796.34 83300 4560.262 4560.262 724.65639 724.65639 48.189665 48.189665 48.189665 111908.15 -987222.14 -889078.69 83400 4556.2911 4556.2911 224.14076 224.14076 48.189937 48.189937 48.189937 111910.04 -987188.34 -889130.36 83500 4562.1193 4562.1193 2463.0184 2463.0184 48.189688 48.189688 48.189688 111908.31 -987346.17 -889162.75 83600 4531.2675 4531.2675 -3.7989558 -3.7989558 48.189918 48.189918 48.189918 111909.92 -987267.35 -889747.91 83700 4535.1481 4535.1481 1973.7281 1973.7281 48.189774 48.189774 48.189774 111908.91 -987261.53 -889658.57 83800 4555.4503 4555.4503 2540.3082 2540.3082 48.189942 48.189942 48.189942 111910.08 -987247.69 -889207.8 83900 4549.961 4549.961 1066.3683 1066.3683 48.190329 48.190329 48.190329 111912.78 -987156.29 -889234.53 84000 4478.4823 4478.4823 875.09596 875.09596 48.190477 48.190477 48.190477 111913.81 -987377.69 -890994.26 84100 4517.7589 4517.7589 983.00341 983.00341 48.191032 48.191032 48.191032 111917.68 -987130.53 -889901.81 84200 4493.9489 4493.9489 -66.61544 -66.61544 48.191511 48.191511 48.191511 111921.01 -987109.92 -890393.63 84300 4516.3963 4516.3963 427.05456 427.05456 48.191863 48.191863 48.191863 111923.47 -987194.18 -889994.79 84400 4583.132 4583.132 1366.5535 1366.5535 48.192317 48.192317 48.192317 111926.63 -987368.64 -888733 84500 4535.897 4535.897 106.20169 106.20169 48.19234 48.19234 48.19234 111926.79 -987256.4 -889637.32 84600 4499.7777 4499.7777 -656.48003 -656.48003 48.191923 48.191923 48.191923 111923.89 -987181.6 -890339.86 84700 4594.6694 4594.6694 -194.83377 -194.83377 48.192016 48.192016 48.192016 111924.53 -987325.96 -888442.02 84800 4531.8531 4531.8531 1977.2919 1977.2919 48.192228 48.192228 48.192228 111926.01 -987210.82 -889678.78 84900 4552.3796 4552.3796 836.04585 836.04585 48.192594 48.192594 48.192594 111928.56 -987183.03 -889209.22 85000 4554.234 4554.234 -1586.9962 -1586.9962 48.192982 48.192982 48.192982 111931.26 -987244.19 -889230.48 85100 4542.5163 4542.5163 1692.5391 1692.5391 48.192417 48.192417 48.192417 111927.33 -987336.01 -889574.48 85200 4478.9977 4478.9977 896.2332 896.2332 48.192181 48.192181 48.192181 111925.68 -987269.64 -890875.12 85300 4585.9238 4585.9238 1776.7964 1776.7964 48.191753 48.191753 48.191753 111922.7 -987211.96 -888516.24 85400 4593.3075 4593.3075 1348.5297 1348.5297 48.191657 48.191657 48.191657 111922.03 -987173.88 -888319.25 85500 4497.3619 4497.3619 944.00015 944.00015 48.191914 48.191914 48.191914 111923.82 -987075.62 -890285.87 85600 4508.5463 4508.5463 576.26864 576.26864 48.191878 48.191878 48.191878 111923.57 -987272.7 -890242.25 85700 4503.2671 4503.2671 1334.1171 1334.1171 48.191679 48.191679 48.191679 111922.18 -987235.1 -890318.27 85800 4452.062 4452.062 193.23177 193.23177 48.191821 48.191821 48.191821 111923.17 -987270.3 -891455.47 85900 4517.4217 4517.4217 720.75121 720.75121 48.19245 48.19245 48.19245 111927.56 -987179.85 -889958.39 86000 4546.254 4546.254 2038.7611 2038.7611 48.192511 48.192511 48.192511 111927.98 -987360.32 -889518.35 86100 4554.8073 4554.8073 82.556863 82.556863 48.192729 48.192729 48.192729 111929.5 -987057.4 -889031.34 86200 4447.7709 4447.7709 621.00543 621.00543 48.192636 48.192636 48.192636 111928.85 -987347.95 -891625.47 86300 4501.7242 4501.7242 -104.11456 -104.11456 48.192801 48.192801 48.192801 111930 -987190.54 -890306.91 86400 4470.3939 4470.3939 461.64837 461.64837 48.193059 48.193059 48.193059 111931.8 -987201.56 -890992.21 86500 4512.6933 4512.6933 1023.1962 1023.1962 48.192987 48.192987 48.192987 111931.29 -987344.73 -890225.03 86600 4642.5992 4642.5992 2058.5193 2058.5193 48.192927 48.192927 48.192927 111930.88 -987001.39 -887085.93 86700 4586.8814 4586.8814 1288.8727 1288.8727 48.192872 48.192872 48.192872 111930.5 -987267.72 -888551.39 86800 4501.2992 4501.2992 1657.6692 1657.6692 48.192899 48.192899 48.192899 111930.69 -987194.61 -890320.14 86900 4531.5543 4531.5543 1565.7576 1565.7576 48.193016 48.193016 48.193016 111931.5 -987153.17 -889627.56 87000 4517.0329 4517.0329 662.13746 662.13746 48.193717 48.193717 48.193717 111936.38 -987225.39 -890012.3 87100 4483.2317 4483.2317 2239.0795 2239.0795 48.194042 48.194042 48.194042 111938.65 -987264.05 -890778.41 87200 4575.5052 4575.5052 163.58801 163.58801 48.19423 48.19423 48.19423 111939.96 -987087.57 -888616.07 87300 4547.9643 4547.9643 953.81711 953.81711 48.194679 48.194679 48.194679 111943.08 -987323.19 -889444.41 87400 4556.1764 4556.1764 -105.55519 -105.55519 48.194588 48.194588 48.194588 111942.45 -987067.76 -889012.25 87500 4541.5487 4541.5487 932.11401 932.11401 48.194399 48.194399 48.194399 111941.14 -987094.49 -889353.79 87600 4507.1695 4507.1695 486.55615 486.55615 48.194356 48.194356 48.194356 111940.84 -987216.03 -890215.21 87700 4588.4827 4588.4827 657.51934 657.51934 48.19434 48.19434 48.19434 111940.73 -987216.79 -888465.99 87800 4491.982 4491.982 1490.1935 1490.1935 48.194205 48.194205 48.194205 111939.78 -987163.7 -890489.74 87900 4560.0667 4560.0667 1574.3662 1574.3662 48.194942 48.194942 48.194942 111944.92 -987045.57 -888906.33 88000 4523.8778 4523.8778 1236.1339 1236.1339 48.195107 48.195107 48.195107 111946.07 -987172.38 -889811.98 88100 4523.0643 4523.0643 320.45528 320.45528 48.195009 48.195009 48.195009 111945.39 -987236.55 -889893.66 88200 4556.4744 4556.4744 397.06655 397.06655 48.194408 48.194408 48.194408 111941.2 -987191.56 -889129.64 88300 4491.0621 4491.0621 -697.88611 -697.88611 48.194482 48.194482 48.194482 111941.71 -987136.52 -890482.35 88400 4548.5929 4548.5929 657.07584 657.07584 48.19517 48.19517 48.19517 111946.51 -987333.69 -889441.38 88500 4482.1131 4482.1131 647.55873 647.55873 48.195853 48.195853 48.195853 111951.27 -987165.89 -890704.32 88600 4594.8744 4594.8744 1903.1412 1903.1412 48.19623 48.19623 48.19623 111953.89 -987077.85 -888189.5 88700 4568.2136 4568.2136 2497.92 2497.92 48.196341 48.196341 48.196341 111954.67 -987187.31 -888872.74 88800 4565.181 4565.181 1479.7871 1479.7871 48.196618 48.196618 48.196618 111956.6 -987181.8 -888932.49 88900 4565.5451 4565.5451 1719.751 1719.751 48.196453 48.196453 48.196453 111955.45 -987107.47 -888850.32 89000 4539.6924 4539.6924 2097.357 2097.357 48.196142 48.196142 48.196142 111953.28 -987167.33 -889466.57 89100 4563.2152 4563.2152 308.87483 308.87483 48.195589 48.195589 48.195589 111949.43 -987194.02 -888987.02 89200 4551.5103 4551.5103 2318.6837 2318.6837 48.195923 48.195923 48.195923 111951.75 -987274.73 -889319.63 89300 4547.445 4547.445 -264.89307 -264.89307 48.196531 48.196531 48.196531 111955.99 -987133.34 -889265.74 89400 4506.3961 4506.3961 1768.0577 1768.0577 48.196403 48.196403 48.196403 111955.1 -987191.12 -890206.94 89500 4613.2447 4613.2447 2461.7992 2461.7992 48.196896 48.196896 48.196896 111958.53 -987155 -887871.29 89600 4593.5218 4593.5218 1074.6952 1074.6952 48.19697 48.19697 48.19697 111959.05 -987337.86 -888478.62 89700 4480.3816 4480.3816 58.52017 58.52017 48.197163 48.197163 48.197163 111960.4 -987111.79 -890687.49 89800 4510.8532 4510.8532 97.679849 97.679849 48.197165 48.197165 48.197165 111960.41 -987152.43 -890072.34 89900 4629.6534 4629.6534 1418.3702 1418.3702 48.196972 48.196972 48.196972 111959.07 -987390.03 -887753.18 90000 4557.2767 4557.2767 572.76103 572.76103 48.196896 48.196896 48.196896 111958.54 -987293.11 -889213.91 90100 4610.0892 4610.0892 1653.3582 1653.3582 48.196984 48.196984 48.196984 111959.15 -987282.09 -888066.29 90200 4565.4869 4565.4869 33.589308 33.589308 48.197144 48.197144 48.197144 111960.27 -987247.6 -888991.71 90300 4510.0364 4510.0364 1599.7119 1599.7119 48.196782 48.196782 48.196782 111957.74 -987217.83 -890155.31 90400 4511.3222 4511.3222 2224.852 2224.852 48.197101 48.197101 48.197101 111959.97 -987319.15 -890228.97 90500 4542.577 4542.577 508.87539 508.87539 48.197882 48.197882 48.197882 111965.41 -987224.42 -889461.58 90600 4565.9342 4565.9342 1111.4052 1111.4052 48.198112 48.198112 48.198112 111967.01 -987236.75 -888971.23 90700 4495.08 4495.08 174.3271 174.3271 48.198185 48.198185 48.198185 111967.52 -987109.63 -890369 90800 4608.9838 4608.9838 1875.2562 1875.2562 48.197737 48.197737 48.197737 111964.4 -987239.66 -888047.65 90900 4489.1647 4489.1647 739.20335 739.20335 48.197325 48.197325 48.197325 111961.52 -987299.44 -890686.11 91000 4532.4271 4532.4271 759.54736 759.54736 48.19708 48.19708 48.19708 111959.82 -987188.64 -889644.25 91100 4497.259 4497.259 66.154637 66.154637 48.196836 48.196836 48.196836 111958.12 -987151.44 -890363.91 91200 4552.9224 4552.9224 1917.4194 1917.4194 48.196767 48.196767 48.196767 111957.64 -987340.03 -889354.54 91300 4552.6901 4552.6901 1511.2821 1511.2821 48.196912 48.196912 48.196912 111958.65 -987151.05 -889170.57 91400 4548.2941 4548.2941 831.87805 831.87805 48.197476 48.197476 48.197476 111962.58 -987087.37 -889201.5 91500 4556.3289 4556.3289 1312.8119 1312.8119 48.197689 48.197689 48.197689 111964.06 -987181.63 -889122.83 91600 4550.8517 4550.8517 1636.7758 1636.7758 48.197379 48.197379 48.197379 111961.9 -987131.66 -889190.74 91700 4551.6405 4551.6405 2023.1862 2023.1862 48.197673 48.197673 48.197673 111963.95 -987158.51 -889200.61 91800 4488.1601 4488.1601 -318.81836 -318.81836 48.19837 48.19837 48.19837 111968.81 -987304.39 -890712.69 91900 4556.4477 4556.4477 917.59604 917.59604 48.198085 48.198085 48.198085 111966.82 -987149.15 -889087.8 92000 4565.7532 4565.7532 1367.349 1367.349 48.197886 48.197886 48.197886 111965.44 -987170.17 -888908.55 92100 4528.0272 4528.0272 987.92684 987.92684 48.198018 48.198018 48.198018 111966.35 -987169.98 -889720.28 92200 4593.8017 4593.8017 242.83528 242.83528 48.198244 48.198244 48.198244 111967.93 -987127.53 -888262.26 92300 4475.0051 4475.0051 1143.8567 1143.8567 48.198188 48.198188 48.198188 111967.54 -987257.67 -890949.08 92400 4530.3772 4530.3772 1506.2755 1506.2755 48.198292 48.198292 48.198292 111968.26 -987244.74 -889744.46 92500 4616.7272 4616.7272 1315.0181 1315.0181 48.198152 48.198152 48.198152 111967.29 -987149.89 -887791.24 92600 4558.8466 4558.8466 395.51174 395.51174 48.198222 48.198222 48.198222 111967.78 -987112.34 -888999.35 92700 4579.418 4579.418 985.2308 985.2308 48.198756 48.198756 48.198756 111971.5 -987088.05 -888532.34 92800 4528.4358 4528.4358 1409.8096 1409.8096 48.199085 48.199085 48.199085 111973.79 -987329 -889870.5 92900 4481.7817 4481.7817 485.61574 485.61574 48.199633 48.199633 48.199633 111977.61 -987249.06 -890794.62 93000 4550.4126 4550.4126 291.75529 291.75529 48.199759 48.199759 48.199759 111978.49 -987089.14 -889157.67 93100 4555.0992 4555.0992 1452.2266 1452.2266 48.19941 48.19941 48.19941 111976.05 -987229.43 -889197.09 93200 4524.3234 4524.3234 1670.809 1670.809 48.199171 48.199171 48.199171 111974.39 -987175.7 -889805.71 93300 4588.2812 4588.2812 1378.7754 1378.7754 48.198612 48.198612 48.198612 111970.5 -987290.46 -888544 93400 4609.0378 4609.0378 2371.2688 2371.2688 48.19814 48.19814 48.19814 111967.21 -987378.91 -888185.74 93500 4512.4635 4512.4635 872.66596 872.66596 48.19826 48.19826 48.19826 111968.04 -987103.08 -889988.33 93600 4567.5463 4567.5463 711.9833 711.9833 48.198997 48.198997 48.198997 111973.18 -987336.93 -889036.72 93700 4534.3405 4534.3405 -328.61136 -328.61136 48.199861 48.199861 48.199861 111979.2 -987162.71 -889577.13 93800 4510.1993 4510.1993 1145.0563 1145.0563 48.200243 48.200243 48.200243 111981.86 -987123.28 -890057.26 93900 4530.449 4530.449 -705.15964 -705.15964 48.199852 48.199852 48.199852 111979.14 -987268.47 -889766.64 94000 4536.7167 4536.7167 1271.0975 1271.0975 48.199126 48.199126 48.199126 111974.07 -987290.45 -889653.73 94100 4542.486 4542.486 3023.7384 3023.7384 48.198424 48.198424 48.198424 111969.18 -987272.76 -889511.88 94200 4516.3049 4516.3049 1026.5619 1026.5619 48.198898 48.198898 48.198898 111972.48 -987149.26 -889951.84 94300 4544.2599 4544.2599 1256.7116 1256.7116 48.198981 48.198981 48.198981 111973.07 -987114.63 -889315.57 94400 4531.4469 4531.4469 1085.0629 1085.0629 48.199695 48.199695 48.199695 111978.04 -987258.91 -889735.61 94500 4538.191 4538.191 166.19887 166.19887 48.200109 48.200109 48.200109 111980.92 -987088.51 -889420.06 94600 4468.2641 4468.2641 412.71955 412.71955 48.200202 48.200202 48.200202 111981.58 -987148.19 -890984.67 94700 4491.8554 4491.8554 967.89264 967.89264 48.200365 48.200365 48.200365 111982.71 -987164.93 -890493.69 94800 4538.6464 4538.6464 1564.0472 1564.0472 48.200579 48.200579 48.200579 111984.2 -987422.49 -889744.24 94900 4598.8051 4598.8051 1843.3136 1843.3136 48.200721 48.200721 48.200721 111985.19 -986943.19 -887970.24 95000 4465.3784 4465.3784 -910.74756 -910.74756 48.200429 48.200429 48.200429 111983.16 -987246.81 -891145.4 95100 4485.3763 4485.3763 870.02956 870.02956 48.199384 48.199384 48.199384 111975.88 -987180.35 -890648.56 95200 4559.6757 4559.6757 678.87464 678.87464 48.19886 48.19886 48.19886 111972.23 -987305.28 -889174.46 95300 4508.4168 4508.4168 252.95876 252.95876 48.19875 48.19875 48.19875 111971.46 -987136.69 -890109.03 95400 4589.4681 4589.4681 939.15221 939.15221 48.198708 48.198708 48.198708 111971.16 -987168.49 -888396.49 95500 4563.6306 4563.6306 1323.994 1323.994 48.19926 48.19926 48.19926 111975.01 -987397.29 -889181.34 95600 4601.5055 4601.5055 2804.6363 2804.6363 48.199615 48.199615 48.199615 111977.49 -987240.77 -888209.71 95700 4577.2206 4577.2206 -816.91687 -816.91687 48.200187 48.200187 48.200187 111981.47 -987199.51 -888691.09 95800 4513.6998 4513.6998 1245.278 1245.278 48.200266 48.200266 48.200266 111982.02 -987128.51 -889987.15 95900 4546.8953 4546.8953 256.51615 256.51615 48.200412 48.200412 48.200412 111983.04 -987187.33 -889331.55 96000 4601.5233 4601.5233 593.5747 593.5747 48.200174 48.200174 48.200174 111981.38 -987101.19 -888069.74 96100 4517.9511 4517.9511 1262.0388 1262.0388 48.200307 48.200307 48.200307 111982.31 -987164.39 -889931.54 96200 4576.0229 4576.0229 1163.6271 1163.6271 48.200392 48.200392 48.200392 111982.9 -987043.96 -888561.31 96300 4579.245 4579.245 1476.0172 1476.0172 48.200365 48.200365 48.200365 111982.71 -987216.25 -888664.27 96400 4554.9751 4554.9751 -71.990031 -71.990031 48.200268 48.200268 48.200268 111982.03 -987333.98 -889304.32 96500 4537.4025 4537.4025 1212.4603 1212.4603 48.199742 48.199742 48.199742 111978.37 -987215.23 -889563.75 96600 4536.2692 4536.2692 745.02492 745.02492 48.199653 48.199653 48.199653 111977.75 -987185.25 -889558.16 96700 4525.5737 4525.5737 802.41668 802.41668 48.199815 48.199815 48.199815 111978.88 -987280.4 -889883.5 96800 4506.1792 4506.1792 752.83062 752.83062 48.199915 48.199915 48.199915 111979.57 -987117.57 -890138.07 96900 4510.5367 4510.5367 -1316.6077 -1316.6077 48.20002 48.20002 48.20002 111980.31 -987208.63 -890135.35 97000 4528.7763 4528.7763 -180.48877 -180.48877 48.199876 48.199876 48.199876 111979.3 -987125.88 -889660.06 97100 4545.8712 4545.8712 1071.9901 1071.9901 48.199867 48.199867 48.199867 111979.24 -987200.35 -889366.62 97200 4563.3647 4563.3647 2137.4148 2137.4148 48.200058 48.200058 48.200058 111980.57 -987215.8 -889005.58 97300 4522.8574 4522.8574 1623.5049 1623.5049 48.200682 48.200682 48.200682 111984.92 -987205.85 -889867.4 97400 4562.6826 4562.6826 1366.9328 1366.9328 48.201076 48.201076 48.201076 111987.67 -987204.4 -889008.86 97500 4556.261 4556.261 1341.4974 1341.4974 48.201141 48.201141 48.201141 111988.12 -987000.39 -888943.06 97600 4488.9041 4488.9041 892.28117 892.28117 48.20083 48.20083 48.20083 111985.95 -987294.84 -890687.12 97700 4597.0061 4597.0061 993.99393 993.99393 48.200877 48.200877 48.200877 111986.28 -987195.09 -888260.86 97800 4452.5239 4452.5239 -601.31663 -601.31663 48.200327 48.200327 48.200327 111982.45 -987188.85 -891364.08 97900 4574.2411 4574.2411 1774.4793 1774.4793 48.199893 48.199893 48.199893 111979.42 -987279.07 -888834.78 98000 4492.697 4492.697 469.12279 469.12279 48.199669 48.199669 48.199669 111977.86 -987129.24 -890439.89 98100 4647.2981 4647.2981 787.16106 787.16106 48.199785 48.199785 48.199785 111978.67 -987233.12 -887216.53 98200 4479.3272 4479.3272 598.59277 598.59277 48.199588 48.199588 48.199588 111977.3 -987168.48 -890766.87 98300 4646.3228 4646.3228 2155.9421 2155.9421 48.199961 48.199961 48.199961 111979.9 -987194.39 -887198.79 98400 4513.62 4513.62 -123.8045 -123.8045 48.200564 48.200564 48.200564 111984.1 -987102.36 -889962.72 98500 4544.8803 4544.8803 352.74068 352.74068 48.20076 48.20076 48.20076 111985.46 -987136.47 -889324.06 98600 4535.1107 4535.1107 1873.3195 1873.3195 48.200349 48.200349 48.200349 111982.6 -987151.01 -889548.86 98700 4603.8 4603.8 2409.3859 2409.3859 48.200009 48.200009 48.200009 111980.23 -987355.04 -888274.59 98800 4499.8129 4499.8129 1449.4056 1449.4056 48.200298 48.200298 48.200298 111982.24 -987208.79 -890366.29 98900 4545.4178 4545.4178 1040.2011 1040.2011 48.200763 48.200763 48.200763 111985.49 -987267.69 -889443.71 99000 4576.8012 4576.8012 1174.0578 1174.0578 48.201827 48.201827 48.201827 111992.9 -987185.65 -888686.25 99100 4560.3055 4560.3055 176.71832 176.71832 48.202188 48.202188 48.202188 111995.42 -987139.84 -888995.47 99200 4574.7413 4574.7413 1252.9413 1252.9413 48.201891 48.201891 48.201891 111993.35 -987196.59 -888741.53 99300 4586.3437 4586.3437 1636.6103 1636.6103 48.201519 48.201519 48.201519 111990.76 -987158.91 -888454.15 99400 4523.551 4523.551 978.43225 978.43225 48.200648 48.200648 48.200648 111984.69 -987048.57 -889695.2 99500 4485.2599 4485.2599 348.83202 348.83202 48.199603 48.199603 48.199603 111977.4 -987242.24 -890712.95 99600 4552.2887 4552.2887 648.50309 648.50309 48.199092 48.199092 48.199092 111973.84 -987239.56 -889267.71 99700 4482.8228 4482.8228 1102.2959 1102.2959 48.19871 48.19871 48.19871 111971.18 -987236.58 -890759.74 99800 4531.9143 4531.9143 738.48605 738.48605 48.198939 48.198939 48.198939 111972.77 -987189.21 -889655.85 99900 4558.3465 4558.3465 599.87377 599.87377 48.19985 48.19985 48.19985 111979.12 -987026.85 -888924.63 100000 4550.7749 4550.7749 1002.3083 1002.3083 48.200344 48.200344 48.200344 111982.57 -987109.36 -889170.09 Loop time of 1325.7 on 24 procs for 20000 steps with 7221 atoms Performance: 0.652 ns/day, 36.825 hours/ns, 15.086 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 714.81 | 759.25 | 785.74 | 66.0 | 57.27 Bond | 0.0045223 | 0.0069022 | 0.0091136 | 1.4 | 0.00 Neigh | 0.02231 | 0.023051 | 0.023616 | 0.2 | 0.00 Comm | 10.592 | 35.888 | 81.41 | 306.9 | 2.71 Output | 0.048699 | 0.050247 | 0.082498 | 3.0 | 0.00 Modify | 528.53 | 529.83 | 532.17 | 5.9 | 39.97 Other | | 0.6583 | | | 0.05 Nlocal: 300.875 ave 317 max 284 min Histogram: 1 1 2 5 2 5 3 1 1 3 Nghost: 4174.75 ave 4214 max 4116 min Histogram: 1 1 1 1 2 3 6 5 2 2 Neighs: 115724 ave 122236 max 110302 min Histogram: 4 1 4 2 2 4 1 2 2 2 Total # of neighbors = 2777372 Ave neighs/atom = 384.624 Ave special neighs/atom = 0 Neighbor list builds = 1 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 100000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.6 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 100000 4550.7749 4550.7749 1002.4701 1002.4701 48.200344 48.200344 48.200344 111982.57 -987109.35 -889170.09 100100 4578.6528 4578.6528 1238.3526 1238.3526 48.204791 48.204791 48.204791 112013.56 -985963.46 -887424.22 100200 4505.1382 4505.1382 -2140.3697 -2140.3697 48.210327 48.210327 48.210327 112052.16 -986586.48 -889629.38 100300 4500.209 4500.209 -505.07643 -505.07643 48.212154 48.212154 48.212154 112064.9 -986901.03 -890050.02 100400 4499.0671 4499.0671 -488.27493 -488.27493 48.21092 48.21092 48.21092 112056.3 -986903.23 -890076.79 100500 4523.7562 4523.7562 -1119.7121 -1119.7121 48.207949 48.207949 48.207949 112035.58 -987053.11 -889695.33 100600 4463.458 4463.458 -1130.133 -1130.133 48.204835 48.204835 48.204835 112013.87 -986926.85 -890866.76 100700 4546.1863 4546.1863 3901.969 3901.969 48.202993 48.202993 48.202993 112001.03 -987078.34 -889237.83 100800 4532.5206 4532.5206 -40.876512 -40.876512 48.202489 48.202489 48.202489 111997.52 -987064.73 -889518.32 100900 4500.8796 4500.8796 2235.09 2235.09 48.2035 48.2035 48.2035 112004.57 -987301.82 -890436.37 101000 4552.3649 4552.3649 1636.929 1636.929 48.205172 48.205172 48.205172 112016.22 -987035.73 -889062.24 101100 4505.109 4505.109 2683.155 2683.155 48.206649 48.206649 48.206649 112026.52 -986990.17 -890033.69 101200 4569.1382 4569.1382 902.30479 902.30479 48.208045 48.208045 48.208045 112036.25 -987141.15 -888806.68 101300 4537.8411 4537.8411 588.91471 588.91471 48.209476 48.209476 48.209476 112046.22 -987157.43 -889496.52 101400 4425.5604 4425.5604 740.29689 740.29689 48.210108 48.210108 48.210108 112050.63 -987093.83 -891849.36 101500 4558.3619 4558.3619 207.79078 207.79078 48.210623 48.210623 48.210623 112054.23 -987070.67 -888968.11 101600 4512.5138 4512.5138 -828.50457 -828.50457 48.210668 48.210668 48.210668 112054.54 -987018.98 -889903.14 101700 4503.4188 4503.4188 -872.85173 -872.85173 48.210369 48.210369 48.210369 112052.45 -987247.43 -890327.33 101800 4549.4683 4549.4683 1512.64 1512.64 48.210487 48.210487 48.210487 112053.28 -987016.07 -889104.92 101900 4514.5384 4514.5384 -290.9579 -290.9579 48.210824 48.210824 48.210824 112055.63 -987056.95 -889897.55 102000 4526.425 4526.425 1512.887 1512.887 48.21128 48.21128 48.21128 112058.8 -987131.08 -889715.86 102100 4468.1645 4468.1645 -531.0785 -531.0785 48.211405 48.211405 48.211405 112059.68 -987102.14 -890940.77 102200 4532.8856 4532.8856 637.63164 637.63164 48.211688 48.211688 48.211688 112061.65 -987086.2 -889531.94 102300 4529.4736 4529.4736 774.90776 774.90776 48.211905 48.211905 48.211905 112063.16 -987014.08 -889533.25 102400 4552.794 4552.794 681.61541 681.61541 48.211867 48.211867 48.211867 112062.9 -987260.45 -889277.73 102500 4572.2069 4572.2069 153.7512 153.7512 48.211463 48.211463 48.211463 112060.08 -987223.38 -888822.87 102600 4521.3972 4521.3972 679.17004 679.17004 48.211442 48.211442 48.211442 112059.93 -987162.08 -889855.06 102700 4511.9155 4511.9155 -43.105856 -43.105856 48.21133 48.21133 48.21133 112059.16 -987148.36 -890045.41 102800 4540.9816 4540.9816 1630.4899 1630.4899 48.211934 48.211934 48.211934 112063.37 -987086.01 -889357.51 102900 4506.1502 4506.1502 669.19664 669.19664 48.21264 48.21264 48.21264 112068.29 -987072.06 -890093.18 103000 4550.3554 4550.3554 -150.572 -150.572 48.213423 48.213423 48.213423 112073.75 -987273.16 -889342.92 103100 4494.3287 4494.3287 370.43266 370.43266 48.213628 48.213628 48.213628 112075.17 -987012.06 -890287.59 103200 4534.2321 4534.2321 -529.3194 -529.3194 48.213746 48.213746 48.213746 112076 -987160.15 -889576.91 103300 4558.1329 4558.1329 1956.6487 1956.6487 48.213532 48.213532 48.213532 112074.51 -986913.37 -888815.75 103400 4558.0648 4558.0648 1177.3629 1177.3629 48.21305 48.21305 48.21305 112071.15 -987129.45 -889033.29 103500 4558.3358 4558.3358 887.20325 887.20325 48.212951 48.212951 48.212951 112070.46 -987182.13 -889080.14 103600 4553.8402 4553.8402 121.59134 121.59134 48.212908 48.212908 48.212908 112070.16 -987250.16 -889244.92 103700 4480.9766 4480.9766 325.54131 325.54131 48.212856 48.212856 48.212856 112069.79 -987228.35 -890791.24 103800 4528.0323 4528.0323 1061.5082 1061.5082 48.213092 48.213092 48.213092 112071.44 -987063.66 -889613.85 103900 4620.4275 4620.4275 206.94572 206.94572 48.213659 48.213659 48.213659 112075.39 -987247.06 -887808.76 104000 4582.3877 4582.3877 699.59862 699.59862 48.214107 48.214107 48.214107 112078.52 -987138.51 -888518.89 104100 4577.4594 4577.4594 510.36977 510.36977 48.214175 48.214175 48.214175 112078.99 -986970.3 -888456.74 104200 4543.6701 4543.6701 454.24499 454.24499 48.213829 48.213829 48.213829 112076.58 -986956.58 -889170.22 104300 4525.6689 4525.6689 412.24136 412.24136 48.213445 48.213445 48.213445 112073.9 -987120.78 -889721.83 104400 4550.5942 4550.5942 936.98147 936.98147 48.213109 48.213109 48.213109 112071.56 -987164.2 -889228.82 104500 4550.1999 4550.1999 1437.2625 1437.2625 48.212754 48.212754 48.212754 112069.08 -987087.34 -889160.45 104600 4525.6817 4525.6817 -105.6389 -105.6389 48.212932 48.212932 48.212932 112070.33 -987374.91 -889975.68 104700 4565.9612 4565.9612 591.71265 591.71265 48.213796 48.213796 48.213796 112076.35 -987113.74 -888847.64 104800 4489.7328 4489.7328 -573.35178 -573.35178 48.214278 48.214278 48.214278 112079.71 -987102.01 -890476.45 104900 4440.5054 4440.5054 -1152.9669 -1152.9669 48.21501 48.21501 48.21501 112084.81 -987080.41 -891514.31 105000 4613.2205 4613.2205 950.40215 950.40215 48.215069 48.215069 48.215069 112085.23 -987006.38 -887723.19 105100 4495.7028 4495.7028 38.491774 38.491774 48.215384 48.215384 48.215384 112087.43 -987098.35 -890344.31 105200 4574.8528 4574.8528 1238.9658 1238.9658 48.21536 48.21536 48.21536 112087.26 -987017.38 -888559.93 105300 4519.7274 4519.7274 -347.88168 -347.88168 48.21551 48.21551 48.21551 112088.3 -987087.53 -889816.45 105400 4523.2557 4523.2557 340.60886 340.60886 48.215535 48.215535 48.215535 112088.48 -987077.33 -889730.32 105500 4509.6645 4509.6645 -172.33825 -172.33825 48.215551 48.215551 48.215551 112088.59 -987269.22 -890214.71 105600 4490.435 4490.435 885.88652 885.88652 48.215559 48.215559 48.215559 112088.65 -987199.16 -890558.49 105700 4518.1174 4518.1174 9.4242221 9.4242221 48.21547 48.21547 48.21547 112088.02 -987162.23 -889925.8 105800 4505.1764 4505.1764 485.70889 485.70889 48.215277 48.215277 48.215277 112086.68 -987075.36 -890117.43 105900 4546.3463 4546.3463 123.27833 123.27833 48.215501 48.215501 48.215501 112088.24 -986934.84 -889090.88 106000 4530.2444 4530.2444 129.61087 129.61087 48.215113 48.215113 48.215113 112085.54 -987123.62 -889626.2 106100 4523.6633 4523.6633 84.331906 84.331906 48.214741 48.214741 48.214741 112082.94 -987133.48 -889777.7 106200 4564.3894 4564.3894 636.61326 636.61326 48.214968 48.214968 48.214968 112084.52 -987135.89 -888903.62 106300 4488.9205 4488.9205 918.88797 918.88797 48.215217 48.215217 48.215217 112086.26 -987236.12 -890628.05 106400 4544.3364 4544.3364 -63.159552 -63.159552 48.216018 48.216018 48.216018 112091.85 -987030.26 -889229.56 106500 4554.2264 4554.2264 -553.13922 -553.13922 48.216233 48.216233 48.216233 112093.35 -987011.65 -888998.1 106600 4591.6714 4591.6714 -781.96537 -781.96537 48.216337 48.216337 48.216337 112094.07 -987067.33 -888247.91 106700 4539.6818 4539.6818 760.37014 760.37014 48.216169 48.216169 48.216169 112092.9 -987123.93 -889423.4 106800 4543.8986 4543.8986 183.06277 183.06277 48.216215 48.216215 48.216215 112093.22 -987117.37 -889326.09 106900 4619.4217 4619.4217 949.07546 949.07546 48.215823 48.215823 48.215823 112090.49 -987234.11 -887817.46 107000 4564.2617 4564.2617 432.2663 432.2663 48.2158 48.2158 48.2158 112090.32 -987161.68 -888932.16 107100 4484.4947 4484.4947 -692.19813 -692.19813 48.216152 48.216152 48.216152 112092.78 -986997.24 -890484.42 107200 4568.3747 4568.3747 607.66398 607.66398 48.216158 48.216158 48.216158 112092.82 -987053.1 -888735.06 107300 4552.9353 4552.9353 1182.3882 1182.3882 48.216204 48.216204 48.216204 112093.14 -987185.85 -889200.09 107400 4581.1152 4581.1152 266.90771 266.90771 48.216614 48.216614 48.216614 112096 -987087.16 -888494.92 107500 4575.9805 4575.9805 1730.8434 1730.8434 48.216502 48.216502 48.216502 112095.22 -987132.34 -888650.62 107600 4505.6199 4505.6199 272.7914 272.7914 48.21636 48.21636 48.21636 112094.23 -987019.37 -890051.91 107700 4567.9103 4567.9103 1358.2062 1358.2062 48.216196 48.216196 48.216196 112093.09 -986944.74 -888636.69 107800 4483.7782 4483.7782 27.101232 27.101232 48.216006 48.216006 48.216006 112091.77 -987227.56 -890730.15 107900 4569.3543 4569.3543 -647.94771 -647.94771 48.21646 48.21646 48.21646 112094.93 -987187.36 -888848.24 108000 4531.2049 4531.2049 150.41384 150.41384 48.216432 48.216432 48.216432 112094.74 -987101.08 -889582.99 108100 4619.5894 4619.5894 1619.0298 1619.0298 48.216519 48.216519 48.216519 112095.34 -987175.95 -887755.7 108200 4569.0761 4569.0761 -570.79418 -570.79418 48.216781 48.216781 48.216781 112097.17 -987253.27 -888920.14 108300 4496.8714 4496.8714 0.79512484 0.79512484 48.216974 48.216974 48.216974 112098.51 -987172.45 -890393.27 108400 4567.3075 4567.3075 2299.4281 2299.4281 48.21662 48.21662 48.21662 112096.04 -986921.53 -888626.45 108500 4561.8659 4561.8659 985.7682 985.7682 48.216554 48.216554 48.216554 112095.58 -987075.83 -888897.87 108600 4594.0506 4594.0506 1451.3457 1451.3457 48.216683 48.216683 48.216683 112096.48 -987192.16 -888321.53 108700 4553.7674 4553.7674 -571.90718 -571.90718 48.217119 48.217119 48.217119 112099.53 -987105.58 -889101.91 108800 4552.5934 4552.5934 190.08586 190.08586 48.217472 48.217472 48.217472 112101.99 -986957.01 -888978.61 108900 4563.6256 4563.6256 2255.3724 2255.3724 48.217528 48.217528 48.217528 112102.38 -987277.7 -889061.87 109000 4486.677 4486.677 466.06139 466.06139 48.217653 48.217653 48.217653 112103.25 -987273.93 -890714.14 109100 4590.592 4590.592 659.02999 659.02999 48.218024 48.218024 48.218024 112105.84 -987192.34 -888396.15 109200 4557.6912 4557.6912 1149.0682 1149.0682 48.21774 48.21774 48.21774 112103.86 -987211.29 -889123.17 109300 4530.1817 4530.1817 -115.95872 -115.95872 48.217268 48.217268 48.217268 112100.57 -987044.72 -889548.65 109400 4496.6763 4496.6763 -322.7014 -322.7014 48.21673 48.21673 48.21673 112096.81 -987217.75 -890442.76 109500 4502.162 4502.162 858.05039 858.05039 48.216339 48.216339 48.216339 112094.08 -987157.32 -890264.27 109600 4597.6586 4597.6586 1595.6513 1595.6513 48.216788 48.216788 48.216788 112097.21 -987142.15 -888193.88 109700 4567.4237 4567.4237 -49.71808 -49.71808 48.217242 48.217242 48.217242 112100.38 -987025.46 -888727.88 109800 4508.8005 4508.8005 620.09227 620.09227 48.217925 48.217925 48.217925 112105.15 -987148.32 -890112.4 109900 4487.2016 4487.2016 2089.9595 2089.9595 48.218144 48.218144 48.218144 112106.67 -987250.19 -890679.11 110000 4551.9957 4551.9957 524.05496 524.05496 48.218556 48.218556 48.218556 112109.55 -987132.75 -889167.21 110100 4517.4178 4517.4178 78.351423 78.351423 48.218308 48.218308 48.218308 112107.82 -987091.11 -889869.74 110200 4564.1314 4564.1314 1209.0821 1209.0821 48.217741 48.217741 48.217741 112103.86 -987061.54 -888834.82 110300 4513 4513 -592.6086 -592.6086 48.217443 48.217443 48.217443 112101.79 -987171.16 -890044.86 110400 4547.2134 4547.2134 527.29861 527.29861 48.217493 48.217493 48.217493 112102.14 -987031.95 -889169.33 110500 4521.8552 4521.8552 2503.9717 2503.9717 48.217595 48.217595 48.217595 112102.84 -987071.19 -889754.32 110600 4477.2468 4477.2468 -862.0196 -862.0196 48.218055 48.218055 48.218055 112106.06 -987115.41 -890758.57 110700 4542.4176 4542.4176 -195.21156 -195.21156 48.217956 48.217956 48.217956 112105.36 -987131.08 -889371.67 110800 4497.4622 4497.4622 547.88464 547.88464 48.217606 48.217606 48.217606 112102.92 -987049.03 -890257.12 110900 4505.5446 4505.5446 1153.6699 1153.6699 48.217443 48.217443 48.217443 112101.79 -987137.23 -890171.38 111000 4549.4353 4549.4353 -78.152086 -78.152086 48.217234 48.217234 48.217234 112100.33 -987183.67 -889273.23 111100 4566.3341 4566.3341 591.17098 591.17098 48.217528 48.217528 48.217528 112102.38 -987090.1 -888815.98 111200 4550.7718 4550.7718 875.4618 875.4618 48.218109 48.218109 48.218109 112106.43 -987170.89 -889231.69 111300 4555.6884 4555.6884 -670.36243 -670.36243 48.217985 48.217985 48.217985 112105.56 -986955.48 -888910.47 111400 4511.3903 4511.3903 569.49428 569.49428 48.217734 48.217734 48.217734 112103.82 -986937.17 -889845.52 111500 4520.3725 4520.3725 -509.85825 -509.85825 48.217673 48.217673 48.217673 112103.39 -987206.25 -889921.29 111600 4491.4362 4491.4362 1635.3472 1635.3472 48.217685 48.217685 48.217685 112103.47 -987036.31 -890374.1 111700 4531.1728 4531.1728 352.30145 352.30145 48.218209 48.218209 48.218209 112107.13 -987211 -889693.59 111800 4576.187 4576.187 1032.7866 1032.7866 48.218765 48.218765 48.218765 112111.01 -987032.66 -888546.49 111900 4539.1426 4539.1426 -345.84558 -345.84558 48.219447 48.219447 48.219447 112115.76 -987296.76 -889607.83 112000 4584.75 4584.75 899.68473 899.68473 48.219059 48.219059 48.219059 112113.06 -987124.33 -888453.87 112100 4548.1219 4548.1219 26.791042 26.791042 48.218804 48.218804 48.218804 112111.28 -987284.74 -889402.57 112200 4571.1526 4571.1526 1284.0868 1284.0868 48.21866 48.21866 48.21866 112110.27 -987191.6 -888813.77 112300 4593.7341 4593.7341 434.0416 434.0416 48.218973 48.218973 48.218973 112112.45 -987207.09 -888343.28 112400 4539.1955 4539.1955 492.05548 492.05548 48.219564 48.219564 48.219564 112116.58 -987092.51 -889402.45 112500 4573.4555 4573.4555 49.887238 49.887238 48.219713 48.219713 48.219713 112117.62 -987089.58 -888662.2 112600 4566.1886 4566.1886 519.16867 519.16867 48.219591 48.219591 48.219591 112116.77 -987122.15 -888851.15 112700 4578.7403 4578.7403 -517.76886 -517.76886 48.219496 48.219496 48.219496 112116.1 -987100.11 -888558.99 112800 4569.8279 4569.8279 517.09015 517.09015 48.219732 48.219732 48.219732 112117.75 -987128.24 -888778.92 112900 4592.3613 4592.3613 1616.2271 1616.2271 48.219797 48.219797 48.219797 112118.2 -986870.89 -888036.62 113000 4585.9951 4585.9951 929.76154 929.76154 48.220011 48.220011 48.220011 112119.7 -986959.99 -888262.74 113100 4510.7367 4510.7367 -1176.5925 -1176.5925 48.220283 48.220283 48.220283 112121.59 -987165.98 -890088.39 113200 4562.2658 4562.2658 966.51611 966.51611 48.220366 48.220366 48.220366 112122.17 -987190.34 -889003.77 113300 4556.0987 4556.0987 411.24742 411.24742 48.21996 48.21996 48.21996 112119.34 -987168.17 -889114.33 113400 4533.1062 4533.1062 682.26573 682.26573 48.219266 48.219266 48.219266 112114.5 -987107.17 -889548.15 113500 4630.4163 4630.4163 16.679355 16.679355 48.219514 48.219514 48.219514 112116.23 -987104.95 -887451.68 113600 4509.3522 4509.3522 -216.39732 -216.39732 48.219924 48.219924 48.219924 112119.09 -987183.45 -890135.66 113700 4507.8915 4507.8915 -57.123548 -57.123548 48.220355 48.220355 48.220355 112122.1 -987146.27 -890129.91 113800 4563.9129 4563.9129 963.6317 963.6317 48.220527 48.220527 48.220527 112123.29 -987083.33 -888861.32 113900 4555.4058 4555.4058 137.4497 137.4497 48.221088 48.221088 48.221088 112127.21 -987207.92 -889168.99 114000 4570.9245 4570.9245 319.08962 319.08962 48.220902 48.220902 48.220902 112125.92 -987104.65 -888731.73 114100 4567.5784 4567.5784 -323.56391 -323.56391 48.221012 48.221012 48.221012 112126.68 -987047.9 -888746.99 114200 4537.3974 4537.3974 809.54146 809.54146 48.220987 48.220987 48.220987 112126.5 -987213.61 -889562.25 114300 4543.48 4543.48 253.76845 253.76845 48.22077 48.22077 48.22077 112124.99 -987001.4 -889219.13 114400 4489.3149 4489.3149 614.71099 614.71099 48.220448 48.220448 48.220448 112122.75 -987042.57 -890426.01 114500 4546.4271 4546.4271 2108.2744 2108.2744 48.220737 48.220737 48.220737 112124.76 -987138.32 -889292.62 114600 4531.5156 4531.5156 665.98729 665.98729 48.221486 48.221486 48.221486 112129.98 -987161.02 -889636.24 114700 4591.7509 4591.7509 1625.6374 1625.6374 48.222212 48.222212 48.222212 112135.05 -987142.72 -888321.59 114800 4477.0032 4477.0032 -378.04648 -378.04648 48.22287 48.22287 48.22287 112139.64 -987116.9 -890765.3 114900 4534.9085 4534.9085 -486.05093 -486.05093 48.222819 48.222819 48.222819 112139.28 -986961.5 -889363.7 115000 4554.052 4554.052 -640.17301 -640.17301 48.222454 48.222454 48.222454 112136.74 -987084.52 -889074.72 115100 4550.7744 4550.7744 23.908814 23.908814 48.221734 48.221734 48.221734 112131.71 -987154.8 -889215.55 115200 4504.7387 4504.7387 -362.10236 -362.10236 48.221298 48.221298 48.221298 112128.67 -987036.74 -890088.23 115300 4585.5757 4585.5757 1102.123 1102.123 48.220888 48.220888 48.220888 112125.81 -987124.87 -888436.63 115400 4505.9146 4505.9146 886.70455 886.70455 48.220633 48.220633 48.220633 112124.03 -987061.32 -890087.51 115500 4511.2215 4511.2215 -198.92297 -198.92297 48.220526 48.220526 48.220526 112123.29 -986951.93 -889863.91 115600 4540.9212 4540.9212 -1865.1581 -1865.1581 48.220797 48.220797 48.220797 112125.18 -987225.08 -889497.88 115700 4564.8673 4564.8673 827.55076 827.55076 48.220855 48.220855 48.220855 112125.59 -987109.77 -888867.21 115800 4510.9114 4510.9114 -17.752817 -17.752817 48.220773 48.220773 48.220773 112125.01 -987301.11 -890219.76 115900 4494.8404 4494.8404 1736.2328 1736.2328 48.220922 48.220922 48.220922 112126.05 -987148.43 -890412.95 116000 4554.5055 4554.5055 407.33513 407.33513 48.221434 48.221434 48.221434 112129.62 -987056.43 -889036.88 116100 4424.9872 4424.9872 -1754.1574 -1754.1574 48.221609 48.221609 48.221609 112130.85 -986967.22 -891735.08 116200 4535.7074 4535.7074 -431.39327 -431.39327 48.221228 48.221228 48.221228 112128.19 -987099.17 -889484.18 116300 4556.9665 4556.9665 90.106031 90.106031 48.220904 48.220904 48.220904 112125.93 -987036.95 -888964.43 116400 4596.7061 4596.7061 1765.121 1765.121 48.220717 48.220717 48.220717 112124.62 -987106.42 -888178.65 116500 4578.6827 4578.6827 332.29097 332.29097 48.220844 48.220844 48.220844 112125.51 -987079.17 -888539.29 116600 4523.4306 4523.4306 1691.3877 1691.3877 48.220861 48.220861 48.220861 112125.63 -987111.42 -889760.64 116700 4551.1943 4551.1943 455.88776 455.88776 48.221385 48.221385 48.221385 112129.28 -986960.03 -889011.74 116800 4561.7332 4561.7332 -1438.0115 -1438.0115 48.221955 48.221955 48.221955 112133.26 -987049.35 -888874.25 116900 4475.416 4475.416 -368.05446 -368.05446 48.222036 48.222036 48.222036 112133.82 -987148.83 -890831.4 117000 4474.3714 4474.3714 -379.23294 -379.23294 48.222338 48.222338 48.222338 112135.93 -987114.21 -890819.25 117100 4545.4518 4545.4518 1652.2098 1652.2098 48.222189 48.222189 48.222189 112134.89 -987022.2 -889197.49 117200 4519.5487 4519.5487 960.32399 960.32399 48.222213 48.222213 48.222213 112135.06 -987140.16 -889872.92 117300 4571.0048 4571.0048 409.9982 409.9982 48.22184 48.22184 48.22184 112132.46 -987155.67 -888781.03 117400 4517.0374 4517.0374 -302.79101 -302.79101 48.221692 48.221692 48.221692 112131.42 -986970.6 -889757.41 117500 4469.7025 4469.7025 -940.88281 -940.88281 48.221823 48.221823 48.221823 112132.33 -987147.7 -890953.23 117600 4590.9503 4590.9503 3171.1854 3171.1854 48.221741 48.221741 48.221741 112131.77 -987042.24 -888238.34 117700 4561.0903 4561.0903 364.72875 364.72875 48.22204 48.22204 48.22204 112133.85 -987051.77 -888890.5 117800 4521.188 4521.188 287.19278 287.19278 48.22187 48.22187 48.22187 112132.67 -987091.07 -889788.56 117900 4569.9809 4569.9809 1258.6914 1258.6914 48.222026 48.222026 48.222026 112133.75 -987202.94 -888850.33 118000 4557.803 4557.803 639.07594 639.07594 48.222385 48.222385 48.222385 112136.26 -987206.21 -889115.69 118100 4572.9382 4572.9382 828.56421 828.56421 48.222765 48.222765 48.222765 112138.91 -987068.94 -888652.68 118200 4592.5358 4592.5358 4698.7914 4698.7914 48.222955 48.222955 48.222955 112140.24 -987037.76 -888199.73 118300 4589.1659 4589.1659 269.01958 269.01958 48.223088 48.223088 48.223088 112141.16 -987246.83 -888481.33 118400 4596.4031 4596.4031 874.36814 874.36814 48.222489 48.222489 48.222489 112136.99 -987122.37 -888201.12 118500 4587.7923 4587.7923 2345.5979 2345.5979 48.222184 48.222184 48.222184 112134.85 -987020.45 -888284.51 118600 4546.6645 4546.6645 1764.5843 1764.5843 48.222422 48.222422 48.222422 112136.51 -987092.23 -889241.42 118700 4525.5911 4525.5911 17.145429 17.145429 48.222661 48.222661 48.222661 112138.18 -986918.31 -889521.03 118800 4555.485 4555.485 617.93179 617.93179 48.222881 48.222881 48.222881 112139.71 -987029.33 -888988.7 118900 4538.3887 4538.3887 725.88774 725.88774 48.223134 48.223134 48.223134 112141.48 -987114.74 -889442.04 119000 4546.5412 4546.5412 247.13001 247.13001 48.223076 48.223076 48.223076 112141.08 -987042.4 -889194.25 119100 4516.045 4516.045 1053.5865 1053.5865 48.222975 48.222975 48.222975 112140.37 -987170.53 -889978.7 119200 4592.3106 4592.3106 446.44321 446.44321 48.222871 48.222871 48.222871 112139.65 -987050.54 -888217.36 119300 4561.4662 4561.4662 1177.9558 1177.9558 48.222552 48.222552 48.222552 112137.42 -987017.87 -888848.51 119400 4452.3974 4452.3974 -1110.271 -1110.271 48.222486 48.222486 48.222486 112136.96 -986975.07 -891153.02 119500 4512.3785 4512.3785 818.46839 818.46839 48.2229 48.2229 48.2229 112139.85 -987002.88 -889889.96 119600 4530.0444 4530.0444 390.06806 390.06806 48.223111 48.223111 48.223111 112141.32 -987074.83 -889581.71 119700 4561.0415 4561.0415 -342.28809 -342.28809 48.223655 48.223655 48.223655 112145.11 -986955.87 -888795.65 119800 4575.457 4575.457 832.58461 832.58461 48.22439 48.22439 48.22439 112150.25 -987201.38 -888730.92 119900 4565.2061 4565.2061 -369.65474 -369.65474 48.224413 48.224413 48.224413 112150.41 -986893.61 -888643.76 120000 4495.9841 4495.9841 815.41209 815.41209 48.223976 48.223976 48.223976 112147.36 -987112.21 -890352.12 Loop time of 1324.75 on 24 procs for 20000 steps with 7221 atoms Performance: 0.652 ns/day, 36.799 hours/ns, 15.097 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 713.66 | 758.17 | 786.08 | 65.7 | 57.23 Bond | 0.0043974 | 0.0069107 | 0.009666 | 1.5 | 0.00 Neigh | 0.022381 | 0.023097 | 0.023797 | 0.2 | 0.00 Comm | 10.879 | 37.354 | 83.224 | 300.9 | 2.82 Output | 0.048815 | 0.050329 | 0.082689 | 3.0 | 0.00 Modify | 526.96 | 528.48 | 531.01 | 6.6 | 39.89 Other | | 0.6655 | | | 0.05 Nlocal: 300.875 ave 316 max 286 min Histogram: 1 3 1 6 3 3 1 0 2 4 Nghost: 4171 ave 4209 max 4121 min Histogram: 2 0 3 1 1 4 6 4 1 2 Neighs: 115531 ave 122159 max 110308 min Histogram: 4 0 3 6 3 1 1 2 2 2 Total # of neighbors = 2772753 Ave neighs/atom = 383.985 Ave special neighs/atom = 0 Neighbor list builds = 1 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 120000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.5 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 120000 4495.9841 4495.9841 815.38253 815.38253 48.223976 48.223976 48.223976 112147.36 -987112.21 -890352.12 120100 4535.4662 4535.4662 2736.1431 2736.1431 48.231184 48.231184 48.231184 112197.65 -985806.59 -888196.79 120200 4525.5329 4525.5329 -1743.5032 -1743.5032 48.242576 48.242576 48.242576 112277.17 -986650.04 -889254.01 120300 4571.3307 4571.3307 -1847.3159 -1847.3159 48.24896 48.24896 48.24896 112321.75 -986791.1 -888409.44 120400 4595.2236 4595.2236 -662.64636 -662.64636 48.248644 48.248644 48.248644 112319.55 -986685.8 -887789.93 120500 4574.3595 4574.3595 -1084.2242 -1084.2242 48.243801 48.243801 48.243801 112285.73 -986775.92 -888329.08 120600 4533.1026 4533.1026 38.367322 38.367322 48.238037 48.238037 48.238037 112245.48 -986807.82 -889248.89 120700 4599.1727 4599.1727 2331.536 2331.536 48.232505 48.232505 48.232505 112206.87 -986975.24 -887994.38 120800 4510.1424 4510.1424 -132.24185 -132.24185 48.228705 48.228705 48.228705 112180.36 -987076.42 -890011.63 120900 4610.4233 4610.4233 1993.9682 1993.9682 48.227773 48.227773 48.227773 112173.85 -987028.38 -887805.39 121000 4507.2632 4507.2632 -210.74519 -210.74519 48.229011 48.229011 48.229011 112182.49 -986936.52 -889933.69 121100 4512.4937 4512.4937 1373.6322 1373.6322 48.231125 48.231125 48.231125 112197.24 -987097.06 -889981.66 121200 4500.1711 4500.1711 1049.484 1049.484 48.233352 48.233352 48.233352 112212.78 -986988.21 -890138.01 121300 4542.893 4542.893 -1007.1915 -1007.1915 48.235677 48.235677 48.235677 112229.01 -987069.57 -889299.94 121400 4534.796 4534.796 -1113.3073 -1113.3073 48.236595 48.236595 48.236595 112235.42 -987179.19 -889583.82 121500 4568.4713 4568.4713 -748.76514 -748.76514 48.236698 48.236698 48.236698 112236.14 -986829.8 -888509.68 121600 4538.2062 4538.2062 1310.5122 1310.5122 48.235847 48.235847 48.235847 112230.2 -987024.73 -889355.96 121700 4544.856 4544.856 -46.157327 -46.157327 48.235191 48.235191 48.235191 112225.62 -987003.08 -889191.2 121800 4509.3591 4509.3591 -80.846943 -80.846943 48.234488 48.234488 48.234488 112220.72 -987060.62 -890012.68 121900 4526.6093 4526.6093 939.11704 939.11704 48.234103 48.234103 48.234103 112218.03 -987071.48 -889652.29 122000 4555.5937 4555.5937 -555.55292 -555.55292 48.233851 48.233851 48.233851 112216.26 -987134.39 -889091.41 122100 4571.2106 4571.2106 294.97496 294.97496 48.23402 48.23402 48.23402 112217.45 -987096.51 -888717.44 122200 4564.9066 4564.9066 422.37171 422.37171 48.234459 48.234459 48.234459 112220.51 -987173.9 -888930.5 122300 4498.7655 4498.7655 -341.81296 -341.81296 48.235618 48.235618 48.235618 112228.6 -987006.14 -890186.19 122400 4546.7225 4546.7225 2174.677 2174.677 48.236369 48.236369 48.236369 112233.84 -986857.2 -889005.15 122500 4611.7876 4611.7876 814.19084 814.19084 48.236796 48.236796 48.236796 112236.82 -986963.25 -887710.9 122600 4511.77 4511.77 -768.55923 -768.55923 48.237035 48.237035 48.237035 112238.49 -987009.32 -889909.5 122700 4517.4928 4517.4928 120.97866 120.97866 48.237002 48.237002 48.237002 112238.26 -986946.69 -889723.7 122800 4607.0981 4607.0981 1171.2707 1171.2707 48.236568 48.236568 48.236568 112235.23 -986961.03 -887809.6 122900 4535.7327 4535.7327 -598.23812 -598.23812 48.236521 48.236521 48.236521 112234.9 -987029.55 -889414.01 123000 4579.542 4579.542 1118.7766 1118.7766 48.236295 48.236295 48.236295 112233.32 -987011.43 -888453.05 123100 4569.3668 4569.3668 581.94284 581.94284 48.236224 48.236224 48.236224 112232.83 -986959.01 -888619.62 123200 4528.4339 4528.4339 -1418.9989 -1418.9989 48.236862 48.236862 48.236862 112237.29 -986969.69 -889511.24 123300 4500.1841 4500.1841 -299.89033 -299.89033 48.236783 48.236783 48.236783 112236.73 -986898.46 -890047.98 123400 4499.3504 4499.3504 -625.27513 -625.27513 48.236902 48.236902 48.236902 112237.56 -986958.25 -890125.71 123500 4568.0889 4568.0889 -248.98827 -248.98827 48.236941 48.236941 48.236941 112237.84 -987016.8 -888704.91 123600 4525.4718 4525.4718 -466.32306 -466.32306 48.237072 48.237072 48.237072 112238.75 -987064.77 -889670.06 123700 4621.8474 4621.8474 -182.16873 -182.16873 48.237024 48.237024 48.237024 112238.41 -986997.91 -887529.06 123800 4545.8427 4545.8427 457.4362 457.4362 48.237351 48.237351 48.237351 112240.7 -987053.95 -889220.83 123900 4566.5329 4566.5329 -319.78295 -319.78295 48.237855 48.237855 48.237855 112244.21 -986879.35 -888600.95 124000 4620.5101 4620.5101 1260.6801 1260.6801 48.238168 48.238168 48.238168 112246.4 -986894.96 -887454.89 124100 4580.8296 4580.8296 -714.06864 -714.06864 48.238343 48.238343 48.238343 112247.62 -986883.85 -888297.76 124200 4599.3267 4599.3267 -612.52184 -612.52184 48.238554 48.238554 48.238554 112249.09 -987176.81 -888192.64 124300 4571.664 4571.664 -197.00001 -197.00001 48.238818 48.238818 48.238818 112250.94 -987039.06 -888650.23 124400 4572.0183 4572.0183 1553.8862 1553.8862 48.238626 48.238626 48.238626 112249.59 -986879.26 -888482.8 124500 4572.3779 4572.3779 1340.9521 1340.9521 48.238189 48.238189 48.238189 112246.54 -987105.03 -888700.84 124600 4561.9774 4561.9774 419.36768 419.36768 48.237723 48.237723 48.237723 112243.29 -987292.08 -889111.72 124700 4589.0674 4589.0674 1443.2309 1443.2309 48.237531 48.237531 48.237531 112241.95 -986989.64 -888226.26 124800 4505.2064 4505.2064 -52.148043 -52.148043 48.237778 48.237778 48.237778 112243.67 -986935.49 -889976.92 124900 4546.0105 4546.0105 -1228.2585 -1228.2585 48.238153 48.238153 48.238153 112246.29 -986952.68 -889115.95 125000 4565.0112 4565.0112 -133.357 -133.357 48.237873 48.237873 48.237873 112244.34 -987168.16 -888922.5 125100 4497.5673 4497.5673 -424.56682 -424.56682 48.237844 48.237844 48.237844 112244.14 -987093.71 -890299.54 125200 4522.1513 4522.1513 -74.975553 -74.975553 48.237908 48.237908 48.237908 112244.59 -987027.78 -889704.54 125300 4562.4135 4562.4135 263.57878 263.57878 48.238628 48.238628 48.238628 112249.61 -987030.54 -888840.79 125400 4541.4185 4541.4185 -1171.1918 -1171.1918 48.239193 48.239193 48.239193 112253.55 -987065.95 -889328.04 125500 4601.2666 4601.2666 963.28343 963.28343 48.239586 48.239586 48.239586 112256.3 -986970.73 -887944.81 125600 4529.9782 4529.9782 -1401.316 -1401.316 48.239426 48.239426 48.239426 112255.18 -986955.13 -889463.44 125700 4500.2534 4500.2534 561.28271 561.28271 48.238912 48.238912 48.238912 112251.59 -987072.78 -890220.8 125800 4545.3012 4545.3012 -887.76665 -887.76665 48.238439 48.238439 48.238439 112248.29 -987110.72 -889289.25 125900 4560.7211 4560.7211 1516.3322 1516.3322 48.237948 48.237948 48.237948 112244.86 -987075.62 -888922.3 126000 4502.2986 4502.2986 -863.47878 -863.47878 48.237987 48.237987 48.237987 112245.14 -987058.54 -890162.55 126100 4518.7571 4518.7571 80.749971 80.749971 48.238109 48.238109 48.238109 112245.99 -987000.34 -889750.14 126200 4527.1024 4527.1024 -237.1302 -237.1302 48.238708 48.238708 48.238708 112250.17 -986926.82 -889497.02 126300 4546.2895 4546.2895 54.234551 54.234551 48.238762 48.238762 48.238762 112250.54 -987184.3 -889341.56 126400 4550.3721 4550.3721 8.1677206 8.1677206 48.238951 48.238951 48.238951 112251.87 -987094.11 -889163.51 126500 4507.4093 4507.4093 -946.9234 -946.9234 48.239509 48.239509 48.239509 112255.76 -986911.77 -889905.79 126600 4529.7537 4529.7537 -30.946445 -30.946445 48.239645 48.239645 48.239645 112256.71 -987031.03 -889544.17 126700 4533.6623 4533.6623 876.07559 876.07559 48.240004 48.240004 48.240004 112259.21 -987044.38 -889473.4 126800 4584.4638 4584.4638 689.87196 689.87196 48.240024 48.240024 48.240024 112259.36 -987023.26 -888358.96 126900 4522.4934 4522.4934 -1046.2516 -1046.2516 48.239662 48.239662 48.239662 112256.83 -987073.88 -889743.27 127000 4641.705 4641.705 -327.99064 -327.99064 48.239467 48.239467 48.239467 112255.46 -986890.27 -886994.05 127100 4450.6267 4450.6267 -1030.9264 -1030.9264 48.23862 48.23862 48.23862 112249.55 -987098.19 -891314.26 127200 4602.4565 4602.4565 959.79017 959.79017 48.237964 48.237964 48.237964 112244.97 -987049.53 -887998 127300 4521.2594 4521.2594 -302.13953 -302.13953 48.237853 48.237853 48.237853 112244.2 -986927.55 -889623.5 127400 4514.4877 4514.4877 1080.361 1080.361 48.238056 48.238056 48.238056 112245.61 -987073.1 -889914.79 127500 4541.4626 4541.4626 -54.354587 -54.354587 48.238965 48.238965 48.238965 112251.96 -987087.2 -889348.35 127600 4516.0552 4516.0552 216.98533 216.98533 48.239068 48.239068 48.239068 112252.68 -986967.26 -889775.21 127700 4536.3853 4536.3853 -139.85575 -139.85575 48.238899 48.238899 48.238899 112251.5 -986966.36 -889336.77 127800 4532.2633 4532.2633 27.692605 27.692605 48.239102 48.239102 48.239102 112252.92 -987041.17 -889500.3 127900 4630.5646 4630.5646 524.92763 524.92763 48.239315 48.239315 48.239315 112254.41 -986965.18 -887308.72 128000 4554.6294 4554.6294 -378.78217 -378.78217 48.239707 48.239707 48.239707 112257.14 -986977.01 -888954.79 128100 4527.709 4527.709 -1922.5741 -1922.5741 48.24019 48.24019 48.24019 112260.52 -987035.94 -889593.09 128200 4569.581 4569.581 620.07119 620.07119 48.240485 48.240485 48.240485 112262.58 -986991.26 -888647.26 128300 4481.0949 4481.0949 -501.94935 -501.94935 48.240447 48.240447 48.240447 112262.31 -987012.18 -890572.53 128400 4504.9354 4504.9354 -1635.2794 -1635.2794 48.240044 48.240044 48.240044 112259.5 -986985.29 -890032.55 128500 4534.1572 4534.1572 77.775233 77.775233 48.239691 48.239691 48.239691 112257.03 -987130.38 -889548.75 128600 4610.9312 4610.9312 399.16897 399.16897 48.239351 48.239351 48.239351 112254.66 -987043.13 -887809.21 128700 4598.4119 4598.4119 1088.1144 1088.1144 48.239532 48.239532 48.239532 112255.92 -986884.33 -887919.85 128800 4577.6778 4577.6778 -703.28398 -703.28398 48.239433 48.239433 48.239433 112255.23 -987041.29 -888523.04 128900 4570.7424 4570.7424 110.11111 110.11111 48.239616 48.239616 48.239616 112256.51 -986959.89 -888590.9 129000 4529.9656 4529.9656 -931.50441 -931.50441 48.239936 48.239936 48.239936 112258.74 -986938.26 -889446.84 129100 4578.7845 4578.7845 -446.21647 -446.21647 48.239644 48.239644 48.239644 112256.7 -987081.96 -888539.89 129200 4548.4265 4548.4265 -822.06295 -822.06295 48.239226 48.239226 48.239226 112253.78 -987005.72 -889117 129300 4505.1322 4505.1322 -1119.0816 -1119.0816 48.238987 48.238987 48.238987 112252.12 -987035.36 -890078.39 129400 4513.5899 4513.5899 1284.5661 1284.5661 48.238938 48.238938 48.238938 112251.78 -987006.7 -889867.71 129500 4533.0469 4533.0469 162.42859 162.42859 48.239294 48.239294 48.239294 112254.26 -987016.59 -889458.85 129600 4571.6222 4571.6222 952.71532 952.71532 48.239467 48.239467 48.239467 112255.46 -987144.53 -888756.6 129700 4495.0263 4495.0263 -1330.5257 -1330.5257 48.239953 48.239953 48.239953 112258.86 -987004.78 -890265.3 129800 4474.6339 4474.6339 -527.78438 -527.78438 48.240062 48.240062 48.240062 112259.62 -987159.74 -890859.13 129900 4538.8709 4538.8709 -157.90094 -157.90094 48.239989 48.239989 48.239989 112259.11 -987238.36 -889555.29 130000 4548.841 4548.841 739.85198 739.85198 48.239907 48.239907 48.239907 112258.54 -987168.82 -889271.18 130100 4480.5297 4480.5297 -996.0639 -996.0639 48.240206 48.240206 48.240206 112260.63 -986934.52 -890507.03 130200 4481.4519 4481.4519 -980.92597 -980.92597 48.239994 48.239994 48.239994 112259.15 -987039.09 -890591.76 130300 4543.379 4543.379 -283.65304 -283.65304 48.239583 48.239583 48.239583 112256.28 -987052.99 -889272.9 130400 4563.9691 4563.9691 1524.0898 1524.0898 48.239204 48.239204 48.239204 112253.63 -986849.12 -888625.9 130500 4568.6796 4568.6796 863.96721 863.96721 48.2395 48.2395 48.2395 112255.7 -986965.71 -888641.11 130600 4515.9559 4515.9559 -553.89042 -553.89042 48.23965 48.23965 48.23965 112256.74 -987067.64 -889877.73 130700 4525.9451 4525.9451 -713.53597 -713.53597 48.24007 48.24007 48.24007 112259.68 -987305.4 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4560.2805 4560.2805 -1445.5152 -1445.5152 48.240504 48.240504 48.240504 112262.71 -986945.56 -888801.72 131800 4553.3091 4553.3091 368.39117 368.39117 48.240606 48.240606 48.240606 112263.42 -987068.5 -889074.69 131900 4580.5137 4580.5137 1126.1879 1126.1879 48.240404 48.240404 48.240404 112262.01 -986909.71 -888330.42 132000 4537.438 4537.438 -474.93488 -474.93488 48.240287 48.240287 48.240287 112261.19 -987186.01 -889533.77 132100 4498.4105 4498.4105 -1203.4013 -1203.4013 48.240746 48.240746 48.240746 112264.4 -986989.05 -890176.74 132200 4568.9342 4568.9342 -265.01556 -265.01556 48.24125 48.24125 48.24125 112267.91 -987133.01 -888802.92 132300 4519.4355 4519.4355 1149.8092 1149.8092 48.241588 48.241588 48.241588 112270.28 -987151.33 -889886.53 132400 4550.6394 4550.6394 -22.839302 -22.839302 48.241896 48.241896 48.241896 112272.43 -987135.46 -889199.11 132500 4532.8313 4532.8313 -351.9964 -351.9964 48.241463 48.241463 48.241463 112269.4 -986971.66 -889418.57 132600 4564.8518 4564.8518 1290.9328 1290.9328 48.241254 48.241254 48.241254 112267.94 -987028.79 -888786.57 132700 4612.678 4612.678 2120.2905 2120.2905 48.241084 48.241084 48.241084 112266.76 -987085.37 -887813.86 132800 4578.6516 4578.6516 199.72723 199.72723 48.241147 48.241147 48.241147 112267.19 -986978.15 -888438.93 132900 4552.6553 4552.6553 -689.69579 -689.69579 48.240883 48.240883 48.240883 112265.36 -986929.54 -888949.8 133000 4492.7812 4492.7812 -784.26718 -784.26718 48.240906 48.240906 48.240906 112265.51 -987029.1 -890337.94 133100 4527.976 4527.976 -768.4242 -768.4242 48.240839 48.240839 48.240839 112265.04 -987062.63 -889614.03 133200 4563.94 4563.94 81.27017 81.27017 48.241083 48.241083 48.241083 112266.75 -987037.44 -888814.84 133300 4449.1461 4449.1461 -1516.8689 -1516.8689 48.241409 48.241409 48.241409 112269.03 -986997.69 -891245.62 133400 4531.8541 4531.8541 -975.29244 -975.29244 48.241793 48.241793 48.241793 112271.71 -987143 -889610.93 133500 4565.4972 4565.4972 98.693968 98.693968 48.24177 48.24177 48.24177 112271.55 -987023.14 -888767.03 133600 4560.9237 4560.9237 -386.77156 -386.77156 48.241522 48.241522 48.241522 112269.81 -986984.93 -888827.24 133700 4519.2221 4519.2221 223.78505 223.78505 48.241043 48.241043 48.241043 112266.47 -986998.55 -889738.35 133800 4520.5681 4520.5681 -700.05301 -700.05301 48.241144 48.241144 48.241144 112267.17 -986981.64 -889692.47 133900 4543.6647 4543.6647 -842.85746 -842.85746 48.241116 48.241116 48.241116 112266.98 -987081.52 -889295.27 134000 4562.5181 4562.5181 345.59213 345.59213 48.240838 48.240838 48.240838 112265.04 -987145.32 -888953.32 134100 4520.3949 4520.3949 -162.75804 -162.75804 48.24076 48.24076 48.24076 112264.5 -987090.98 -889805.54 134200 4573.2346 4573.2346 2082.6919 2082.6919 48.241027 48.241027 48.241027 112266.36 -987005.15 -888582.52 134300 4591.026 4591.026 68.401656 68.401656 48.241368 48.241368 48.241368 112268.74 -986959.92 -888154.39 134400 4598.9869 4598.9869 -370.14303 -370.14303 48.241966 48.241966 48.241966 112272.91 -987039.04 -888062.18 134500 4554.7904 4554.7904 1511.5123 1511.5123 48.242191 48.242191 48.242191 112274.49 -987067.44 -889041.75 134600 4629.3397 4629.3397 183.17495 183.17495 48.242508 48.242508 48.242508 112276.7 -986957.05 -887326.95 134700 4554.5504 4554.5504 781.15894 781.15894 48.242226 48.242226 48.242226 112274.73 -987159.94 -889139.42 134800 4551.1917 4551.1917 415.89769 415.89769 48.241907 48.241907 48.241907 112272.5 -986973.79 -889025.55 134900 4509.5421 4509.5421 1143.9323 1143.9323 48.241151 48.241151 48.241151 112267.22 -987036.74 -889984.86 135000 4552.4564 4552.4564 -518.74308 -518.74308 48.241056 48.241056 48.241056 112266.56 -986866.86 -888891.4 135100 4512.8255 4512.8255 -624.38293 -624.38293 48.241275 48.241275 48.241275 112268.09 -987103.09 -889980.55 135200 4546.1544 4546.1544 -1053.9076 -1053.9076 48.241161 48.241161 48.241161 112267.3 -987077.15 -889237.32 135300 4537.0876 4537.0876 1089.3317 1089.3317 48.24079 48.24079 48.24079 112264.71 -986986.38 -889341.68 135400 4484.4394 4484.4394 -125.19397 -125.19397 48.240888 48.240888 48.240888 112265.39 -987020.85 -890509.22 135500 4618.5545 4618.5545 928.62722 928.62722 48.24176 48.24176 48.24176 112271.47 -986925.94 -887527.96 135600 4541.107 4541.107 -83.660952 -83.660952 48.242538 48.242538 48.242538 112276.91 -986931.76 -889200.56 135700 4596.6636 4596.6636 1396.0258 1396.0258 48.242449 48.242449 48.242449 112276.29 -986916.66 -887989.8 135800 4576.527 4576.527 525.10932 525.10932 48.242204 48.242204 48.242204 112274.57 -986943.25 -888449.76 135900 4488.8065 4488.8065 -2113.3993 -2113.3993 48.24188 48.24188 48.24188 112272.31 -987002.45 -890396.83 136000 4506.6805 4506.6805 -837.33097 -837.33097 48.241418 48.241418 48.241418 112269.09 -986806.88 -889816.59 136100 4535.7435 4535.7435 -533.06291 -533.06291 48.24127 48.24127 48.24127 112268.06 -986959.39 -889343.62 136200 4497.2094 4497.2094 141.47625 141.47625 48.241616 48.241616 48.241616 112270.47 -986888.56 -890102.1 136300 4506.4586 4506.4586 -360.47462 -360.47462 48.241772 48.241772 48.241772 112271.56 -986957.41 -889971.9 136400 4477.3401 4477.3401 301.20432 301.20432 48.241856 48.241856 48.241856 112272.15 -987091.57 -890732.73 136500 4543.2848 4543.2848 -208.9355 -208.9355 48.241799 48.241799 48.241799 112271.75 -987103.88 -889325.81 136600 4520.1886 4520.1886 -93.530904 -93.530904 48.242241 48.242241 48.242241 112274.83 -986884.43 -889603.42 136700 4475.9902 4475.9902 -880.76065 -880.76065 48.242319 48.242319 48.242319 112275.38 -987046.16 -890716.37 136800 4496.3093 4496.3093 -26.901996 -26.901996 48.242277 48.242277 48.242277 112275.09 -987054.43 -890287.34 136900 4602.3646 4602.3646 760.23477 760.23477 48.242111 48.242111 48.242111 112273.93 -986954.26 -887904.7 137000 4502.8113 4502.8113 -100.79275 -100.79275 48.242532 48.242532 48.242532 112276.87 -987050.3 -890143.28 137100 4566.0241 4566.0241 -907.13951 -907.13951 48.24266 48.24266 48.24266 112277.76 -987150.81 -888883.36 137200 4583.8479 4583.8479 -1709.9353 -1709.9353 48.242425 48.242425 48.242425 112276.12 -987032.61 -888381.56 137300 4630.712 4630.712 561.37655 561.37655 48.24234 48.24234 48.24234 112275.53 -987080.45 -887420.82 137400 4597.1203 4597.1203 -35.71427 -35.71427 48.241948 48.241948 48.241948 112272.79 -987073.95 -888137.26 137500 4571.6433 4571.6433 442.4397 442.4397 48.241769 48.241769 48.241769 112271.54 -987024.31 -888635.92 137600 4537.7563 4537.7563 1071.2313 1071.2313 48.241669 48.241669 48.241669 112270.84 -986950.19 -889291.1 137700 4518.6557 4518.6557 -290.99342 -290.99342 48.24156 48.24156 48.24156 112270.08 -987105.45 -889857.43 137800 4481.6551 4481.6551 -633.07253 -633.07253 48.241355 48.241355 48.241355 112268.65 -987111.59 -890659.88 137900 4555.0578 4555.0578 256.65895 256.65895 48.241 48.241 48.241 112266.17 -987038.94 -889007.5 138000 4549.8802 4549.8802 -348.45411 -348.45411 48.240676 48.240676 48.240676 112263.91 -987050.63 -889130.62 138100 4527.9774 4527.9774 65.431097 65.431097 48.240342 48.240342 48.240342 112261.57 -986934.15 -889485.52 138200 4547.8104 4547.8104 -480.83575 -480.83575 48.240922 48.240922 48.240922 112265.62 -987101.03 -889225.56 138300 4555.3022 4555.3022 269.6119 269.6119 48.241542 48.241542 48.241542 112269.96 -987114.52 -889077.82 138400 4523.5477 4523.5477 1225.2459 1225.2459 48.24227 48.24227 48.24227 112275.04 -986977.79 -889624.49 138500 4558.2336 4558.2336 121.88247 121.88247 48.243026 48.243026 48.243026 112280.32 -986994.84 -888895.05 138600 4475.8039 4475.8039 -1512.9381 -1512.9381 48.243377 48.243377 48.243377 112282.77 -986998 -890672.22 138700 4575.2806 4575.2806 976.18346 976.18346 48.242779 48.242779 48.242779 112278.59 -987206.58 -888739.92 138800 4498.5905 4498.5905 -921.17822 -921.17822 48.242059 48.242059 48.242059 112273.57 -987046.83 -890230.64 138900 4638.6066 4638.6066 -95.890667 -95.890667 48.241803 48.241803 48.241803 112271.77 -987050.6 -887221.07 139000 4548.8867 4548.8867 469.93111 469.93111 48.241365 48.241365 48.241365 112268.72 -987062.46 -889163.83 139100 4541.4479 4541.4479 -602.07666 -602.07666 48.241386 48.241386 48.241386 112268.87 -987048.5 -889309.97 139200 4542.3344 4542.3344 581.38525 581.38525 48.241651 48.241651 48.241651 112270.72 -987018 -889260.38 139300 4597.433 4597.433 326.07904 326.07904 48.241726 48.241726 48.241726 112271.24 -986978.4 -888034.98 139400 4571.1646 4571.1646 -259.45391 -259.45391 48.241958 48.241958 48.241958 112272.86 -986969.64 -888591.56 139500 4577.2738 4577.2738 969.28141 969.28141 48.2421 48.2421 48.2421 112273.85 -987098.6 -888589.04 139600 4555.3962 4555.3962 863.08058 863.08058 48.242329 48.242329 48.242329 112275.45 -987086.79 -889048.07 139700 4495.6381 4495.6381 -119.18632 -119.18632 48.242655 48.242655 48.242655 112277.72 -987227.69 -890475.05 139800 4565.245 4565.245 -839.04746 -839.04746 48.242919 48.242919 48.242919 112279.57 -986970.29 -888719.61 139900 4561.3783 4561.3783 974.77999 974.77999 48.243166 48.243166 48.243166 112281.29 -986959.93 -888792.46 140000 4555.8044 4555.8044 1965.6011 1965.6011 48.243375 48.243375 48.243375 112282.75 -986919.1 -888871.59 Loop time of 1323.6 on 24 procs for 20000 steps with 7221 atoms Performance: 0.653 ns/day, 36.767 hours/ns, 15.110 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 713.56 | 757.51 | 785.27 | 66.0 | 57.23 Bond | 0.0046346 | 0.0069208 | 0.0098743 | 1.4 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 10.219 | 36.488 | 81.624 | 303.9 | 2.76 Output | 0.050686 | 0.052202 | 0.084355 | 2.9 | 0.00 Modify | 527.37 | 528.88 | 532.39 | 8.5 | 39.96 Other | | 0.6601 | | | 0.05 Nlocal: 300.875 ave 316 max 283 min Histogram: 1 1 1 3 5 6 1 1 3 2 Nghost: 4176.29 ave 4215 max 4124 min Histogram: 2 1 0 3 2 3 3 6 2 2 Neighs: 115540 ave 122226 max 109614 min Histogram: 3 1 2 4 4 3 1 2 2 2 Total # of neighbors = 2772965 Ave neighs/atom = 384.014 Ave special neighs/atom = 0 Neighbor list builds = 0 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 140000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.5 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 140000 4555.8044 4555.8044 1965.5589 1965.5589 48.243375 48.243375 48.243375 112282.75 -986919.11 -888871.59 140100 4521.1881 4521.1881 80.784177 80.784177 48.250094 48.250094 48.250094 112329.68 -985751.76 -888449.24 140200 4562.6356 4562.6356 -2556.0741 -2556.0741 48.258442 48.258442 48.258442 112387.98 -986414.61 -888220.08 140300 4540.2307 4540.2307 -2741.2014 -2741.2014 48.261512 48.261512 48.261512 112409.44 -986623.92 -888911.57 140400 4517.5762 4517.5762 -2897.2341 -2897.2341 48.25978 48.25978 48.25978 112397.34 -986796.84 -889572.05 140500 4553.6864 4553.6864 -1411.0896 -1411.0896 48.255062 48.255062 48.255062 112364.37 -986745.3 -888743.38 140600 4535.4407 4535.4407 -962.07841 -962.07841 48.249542 48.249542 48.249542 112325.82 -986954.09 -889344.83 140700 4608.8887 4608.8887 579.4418 579.4418 48.245668 48.245668 48.245668 112298.76 -987087.77 -887897.81 140800 4609.5659 4609.5659 419.61181 419.61181 48.243317 48.243317 48.243317 112282.35 -986884.35 -887679.82 140900 4570.3739 4570.3739 16.972568 16.972568 48.243305 48.243305 48.243305 112282.26 -987080.6 -888719.53 141000 4496.7759 4496.7759 -441.23916 -441.23916 48.244859 48.244859 48.244859 112293.11 -986994.3 -890217.17 141100 4534.2067 4534.2067 -1025.4096 -1025.4096 48.246824 48.246824 48.246824 112306.84 -986947.88 -889365.19 141200 4545.5426 4545.5426 -1255.0206 -1255.0206 48.24839 48.24839 48.24839 112317.77 -986961.34 -889134.68 141300 4534.8396 4534.8396 342.27712 342.27712 48.24916 48.24916 48.24916 112323.15 -986822.19 -889225.87 141400 4589.0844 4589.0844 -757.87639 -757.87639 48.250085 48.250085 48.250085 112329.61 -987051.75 -888288.01 141500 4546.9789 4546.9789 -753.29674 -753.29674 48.250741 48.250741 48.250741 112334.19 -986963.52 -889105.95 141600 4556.8635 4556.8635 -271.12102 -271.12102 48.250271 48.250271 48.250271 112330.9 -986834.25 -888763.95 141700 4513.7223 4513.7223 -1043.1617 -1043.1617 48.25031 48.25031 48.25031 112331.18 -987081.55 -889939.71 141800 4531.0779 4531.0779 892.30287 892.30287 48.250165 48.250165 48.250165 112330.17 -987064.44 -889549.08 141900 4530.8338 4530.8338 -201.23164 -201.23164 48.250392 48.250392 48.250392 112331.75 -987027.17 -889517.06 142000 4529.9008 4529.9008 -1466.6342 -1466.6342 48.250858 48.250858 48.250858 112335 -987064.12 -889574.09 142100 4545.8564 4545.8564 -1074.725 -1074.725 48.251118 48.251118 48.251118 112336.82 -986960.76 -889127.35 142200 4537.4512 4537.4512 -1280.8308 -1280.8308 48.251061 48.251061 48.251061 112336.43 -986901.53 -889249 142300 4545.3181 4545.3181 280.15711 280.15711 48.251706 48.251706 48.251706 112340.93 -987074.85 -889253.03 142400 4537.4532 4537.4532 -200.33235 -200.33235 48.25189 48.25189 48.25189 112342.22 -986927.79 -889275.23 142500 4505.1812 4505.1812 -1456.4398 -1456.4398 48.251751 48.251751 48.251751 112341.25 -987033.32 -890075.3 142600 4536.4316 4536.4316 11.239591 11.239591 48.251623 48.251623 48.251623 112340.35 -986913.12 -889282.54 142700 4553.4018 4553.4018 -912.22411 -912.22411 48.251941 48.251941 48.251941 112342.57 -986980.87 -888985.07 142800 4580.8588 4580.8588 1058.6337 1058.6337 48.251815 48.251815 48.251815 112341.69 -987022.43 -888435.71 142900 4496.5657 4496.5657 -961.40614 -961.40614 48.251876 48.251876 48.251876 112342.12 -987103.03 -890330.42 143000 4560.596 4560.596 151.45141 151.45141 48.251823 48.251823 48.251823 112341.75 -986989.73 -888839.1 143100 4498.6708 4498.6708 -1929.8611 -1929.8611 48.251985 48.251985 48.251985 112342.88 -986961.41 -890143.5 143200 4563.8756 4563.8756 507.55957 507.55957 48.252348 48.252348 48.252348 112345.41 -987047.81 -888826.59 143300 4517.9158 4517.9158 -601.28598 -601.28598 48.252669 48.252669 48.252669 112347.66 -987098.85 -889866.76 143400 4501.7098 4501.7098 -599.7239 -599.7239 48.253575 48.253575 48.253575 112353.98 -987056.18 -890172.87 143500 4477.7321 4477.7321 -2390.9714 -2390.9714 48.254141 48.254141 48.254141 112357.94 -987020.4 -890653.12 143600 4544.2519 4544.2519 -1639.6189 -1639.6189 48.254256 48.254256 48.254256 112358.74 -987042.48 -889243.59 143700 4525.1113 4525.1113 -2098.845 -2098.845 48.25382 48.25382 48.25382 112355.7 -986883.38 -889496.43 143800 4539.6268 4539.6268 -103.46783 -103.46783 48.253267 48.253267 48.253267 112351.84 -987024 -889324.66 143900 4509.5716 4509.5716 -1377.137 -1377.137 48.253468 48.253468 48.253468 112353.24 -987095.48 -890042.96 144000 4514.9481 4514.9481 -437.19419 -437.19419 48.253617 48.253617 48.253617 112354.28 -987096.09 -889927.86 144100 4563.1852 4563.1852 -140.41163 -140.41163 48.254158 48.254158 48.254158 112358.06 -987016.89 -888810.54 144200 4503.9869 4503.9869 -2421.964 -2421.964 48.254238 48.254238 48.254238 112358.62 -986862.09 -889929.77 144300 4512.6071 4512.6071 142.93168 142.93168 48.25414 48.25414 48.25414 112357.93 -986895.57 -889777.73 144400 4558.304 4558.304 470.81525 470.81525 48.254197 48.254197 48.254197 112358.33 -987019.75 -888918.44 144500 4562.7759 4562.7759 1197.1883 1197.1883 48.253901 48.253901 48.253901 112356.26 -987060.01 -888862.46 144600 4547.246 4547.246 1052.5409 1052.5409 48.253783 48.253783 48.253783 112355.44 -987034.31 -889170.99 144700 4487.7616 4487.7616 -1133.0966 -1133.0966 48.254068 48.254068 48.254068 112357.43 -986933.42 -890350.29 144800 4480.9324 4480.9324 -634.89778 -634.89778 48.254431 48.254431 48.254431 112359.96 -987007.96 -890571.81 144900 4500.992 4500.992 -336.64778 -336.64778 48.255021 48.255021 48.255021 112364.09 -987023.92 -890156.06 145000 4586.3945 4586.3945 -400.82548 -400.82548 48.255072 48.255072 48.255072 112364.45 -986912.68 -888206.83 145100 4440.4678 4440.4678 -1831.1431 -1831.1431 48.254627 48.254627 48.254627 112361.33 -986980.57 -891415.27 145200 4540.3802 4540.3802 -1446.1607 -1446.1607 48.253999 48.253999 48.253999 112356.95 -986873.03 -889157.47 145300 4542.5868 4542.5868 -883.65059 -883.65059 48.253478 48.253478 48.253478 112353.31 -986961.51 -889198.46 145400 4584.4115 4584.4115 1194.7683 1194.7683 48.25351 48.25351 48.25351 112353.53 -986931.83 -888268.65 145500 4509.4455 4509.4455 -1417.3638 -1417.3638 48.253877 48.253877 48.253877 112356.1 -986904.34 -889854.54 145600 4490.7887 4490.7887 156.98086 156.98086 48.254477 48.254477 48.254477 112360.29 -987083.92 -890435.64 145700 4547.5262 4547.5262 -1383.8468 -1383.8468 48.255253 48.255253 48.255253 112365.71 -986990.36 -889121.01 145800 4571.9222 4571.9222 -1316.352 -1316.352 48.255902 48.255902 48.255902 112370.24 -987026.47 -888632.08 145900 4587.1494 4587.1494 -111.62277 -111.62277 48.256256 48.256256 48.256256 112372.71 -986946.12 -888224.02 146000 4557.2548 4557.2548 -448.09276 -448.09276 48.256353 48.256353 48.256353 112373.39 -986971.48 -888892.76 146100 4515.7447 4515.7447 -765.00008 -765.00008 48.256037 48.256037 48.256037 112371.19 -986726.28 -889540.91 146200 4531.8703 4531.8703 233.66426 233.66426 48.255871 48.255871 48.255871 112370.02 -986988.26 -889455.85 146300 4536.0092 4536.0092 -806.34995 -806.34995 48.255717 48.255717 48.255717 112368.95 -987032.98 -889411.5 146400 4581.2088 4581.2088 -1611.545 -1611.545 48.256004 48.256004 48.256004 112370.95 -986874.48 -888280.23 146500 4539.6014 4539.6014 120.83961 120.83961 48.255879 48.255879 48.255879 112370.08 -986872.2 -889173.4 146600 4545.1027 4545.1027 -204.47231 -204.47231 48.255906 48.255906 48.255906 112370.27 -986884.37 -889067.18 146700 4549.9633 4549.9633 -824.92103 -824.92103 48.255701 48.255701 48.255701 112368.84 -987060.54 -889138.74 146800 4515.0125 4515.0125 -1719.7745 -1719.7745 48.255978 48.255978 48.255978 112370.77 -986954.28 -889784.68 146900 4607.365 4607.365 -2226.7271 -2226.7271 48.255842 48.255842 48.255842 112369.82 -987002.26 -887845.09 147000 4496.6488 4496.6488 -1151.7736 -1151.7736 48.255945 48.255945 48.255945 112370.54 -986967.93 -890193.54 147100 4486.0165 4486.0165 -981.33961 -981.33961 48.256054 48.256054 48.256054 112371.31 -986798.52 -890252.95 147200 4588.4413 4588.4413 -414.307 -414.307 48.256065 48.256065 48.256065 112371.38 -986862.28 -888112.38 147300 4531.0768 4531.0768 213.8593 213.8593 48.256379 48.256379 48.256379 112373.57 -987054.28 -889538.94 147400 4580.4197 4580.4197 741.99053 741.99053 48.256266 48.256266 48.256266 112372.78 -987065.76 -888488.49 147500 4569.6717 4569.6717 -1929.8964 -1929.8964 48.256167 48.256167 48.256167 112372.09 -986942.28 -888596.32 147600 4499.7145 4499.7145 109.0961 109.0961 48.255729 48.255729 48.255729 112369.04 -986889.67 -890049.29 147700 4565.515 4565.515 -699.92461 -699.92461 48.255267 48.255267 48.255267 112365.8 -986920.6 -888664.1 147800 4527.542 4527.542 -71.081775 -71.081775 48.254681 48.254681 48.254681 112361.71 -987242.06 -889802.79 147900 4498.9839 4498.9839 -533.08674 -533.08674 48.254767 48.254767 48.254767 112362.31 -986981.67 -890157.02 148000 4543.3898 4543.3898 -1293.9192 -1293.9192 48.255603 48.255603 48.255603 112368.15 -986978.11 -889197.78 148100 4511.1249 4511.1249 -1824.6787 -1824.6787 48.256414 48.256414 48.256414 112373.82 -987101.48 -890015.54 148200 4533.3334 4533.3334 835.31154 835.31154 48.256613 48.256613 48.256613 112375.21 -986999.63 -889435.73 148300 4539.0452 4539.0452 -643.63224 -643.63224 48.256532 48.256532 48.256532 112374.64 -986867.13 -889180.31 148400 4550.2622 4550.2622 -1182.0436 -1182.0436 48.256683 48.256683 48.256683 112375.69 -986810.17 -888881.93 148500 4548.9915 4548.9915 514.94412 514.94412 48.256719 48.256719 48.256719 112375.95 -986787.49 -888886.61 148600 4502.3521 4502.3521 161.58849 161.58849 48.256983 48.256983 48.256983 112377.79 -986965.07 -890067.94 148700 4476.4493 4476.4493 -1208.1093 -1208.1093 48.257471 48.257471 48.257471 112381.2 -986994.85 -890655.18 148800 4515.6377 4515.6377 157.73786 157.73786 48.257244 48.257244 48.257244 112379.62 -987087.1 -889904.03 148900 4533.9719 4533.9719 -795.90605 -795.90605 48.257385 48.257385 48.257385 112380.6 -987018.4 -889440.76 149000 4578.1958 4578.1958 -527.74093 -527.74093 48.257102 48.257102 48.257102 112378.63 -986886.21 -888356.8 149100 4578.0563 4578.0563 -1457.1024 -1457.1024 48.257459 48.257459 48.257459 112381.12 -986958.04 -888431.64 149200 4526.8897 4526.8897 -536.46113 -536.46113 48.257401 48.257401 48.257401 112380.71 -987028.42 -889603.2 149300 4503.9304 4503.9304 -1987.6548 -1987.6548 48.257367 48.257367 48.257367 112380.47 -986993.33 -890062.22 149400 4534.8167 4534.8167 -372.91407 -372.91407 48.257374 48.257374 48.257374 112380.53 -987150.86 -889555.04 149500 4449.2599 4449.2599 -1900.5809 -1900.5809 48.257716 48.257716 48.257716 112382.92 -986937.37 -891182.85 149600 4534.5328 4534.5328 -793.96254 -793.96254 48.257849 48.257849 48.257849 112383.84 -986948.67 -889358.95 149700 4566.1125 4566.1125 -0.35749577 -0.35749577 48.256964 48.256964 48.256964 112377.66 -986792.55 -888523.2 149800 4529.8059 4529.8059 153.20851 153.20851 48.256326 48.256326 48.256326 112373.2 -987023.02 -889535.04 149900 4572.9491 4572.9491 1323.2805 1323.2805 48.256112 48.256112 48.256112 112371.71 -986982.8 -888566.32 150000 4529.4672 4529.4672 210.13151 210.13151 48.256437 48.256437 48.256437 112373.98 -986755.67 -889274.97 150100 4523.9335 4523.9335 -305.15267 -305.15267 48.256726 48.256726 48.256726 112376 -986867.4 -889505.79 150200 4557.4625 4557.4625 -1035.887 -1035.887 48.257174 48.257174 48.257174 112379.13 -986994.83 -888911.64 150300 4499.2765 4499.2765 -1235.4341 -1235.4341 48.257576 48.257576 48.257576 112381.93 -986966.35 -890135.41 150400 4538.1716 4538.1716 -869.07599 -869.07599 48.257667 48.257667 48.257667 112382.57 -987049.55 -889381.52 150500 4475.5116 4475.5116 -1584.5596 -1584.5596 48.257652 48.257652 48.257652 112382.47 -987077.6 -890758.11 150600 4532.947 4532.947 122.38688 122.38688 48.257222 48.257222 48.257222 112379.46 -987079.4 -889523.81 150700 4560.6184 4560.6184 288.95238 288.95238 48.256927 48.256927 48.256927 112377.4 -987142.84 -888991.72 150800 4587.9625 4587.9625 -1605.4679 -1605.4679 48.256749 48.256749 48.256749 112376.16 -986796.64 -888057.04 150900 4533.8224 4533.8224 -490.80059 -490.80059 48.256668 48.256668 48.256668 112375.59 -986897.72 -889323.29 151000 4530.5211 4530.5211 -447.85666 -447.85666 48.256336 48.256336 48.256336 112373.27 -986956.15 -889452.77 151100 4512.1307 4512.1307 259.20948 259.20948 48.256258 48.256258 48.256258 112372.73 -986889.62 -889782.04 151200 4567.4831 4567.4831 -1334.8747 -1334.8747 48.256309 48.256309 48.256309 112373.09 -986896.99 -888598.14 151300 4535.7866 4535.7866 26.130976 26.130976 48.256353 48.256353 48.256353 112373.39 -986846.84 -889230.14 151400 4566.8753 4566.8753 57.356842 57.356842 48.256452 48.256452 48.256452 112374.08 -986934.32 -888648.55 151500 4520.139 4520.139 -680.34672 -680.34672 48.256949 48.256949 48.256949 112377.55 -986875.49 -889595.55 151600 4562.7615 4562.7615 -392.90697 -392.90697 48.257516 48.257516 48.257516 112381.52 -987074.66 -888877.42 151700 4502.8625 4502.8625 -231.27925 -231.27925 48.257818 48.257818 48.257818 112383.63 -986866.89 -889958.76 151800 4584.1196 4584.1196 187.73768 187.73768 48.257886 48.257886 48.257886 112384.1 -986829.88 -888172.98 151900 4522.7633 4522.7633 285.02489 285.02489 48.25791 48.25791 48.25791 112384.27 -986918.05 -889581.63 152000 4486.3854 4486.3854 -1226.6792 -1226.6792 48.257872 48.257872 48.257872 112384 -986961.28 -890407.77 152100 4520.9 4520.9 -1532.0903 -1532.0903 48.257831 48.257831 48.257831 112383.72 -987093.85 -889797.53 152200 4529.1926 4529.1926 -893.9068 -893.9068 48.257261 48.257261 48.257261 112379.74 -987021.53 -889546.75 152300 4548.0038 4548.0038 -399.57219 -399.57219 48.256688 48.256688 48.256688 112375.73 -986931.18 -889051.55 152400 4539.7409 4539.7409 -979.09693 -979.09693 48.256384 48.256384 48.256384 112373.61 -987017.64 -889315.84 152500 4578.5557 4578.5557 -1399.9891 -1399.9891 48.256276 48.256276 48.256276 112372.86 -986805.98 -888268.83 152600 4554.2656 4554.2656 317.8853 317.8853 48.256212 48.256212 48.256212 112372.41 -987035.33 -889020.94 152700 4502.3334 4502.3334 -295.39648 -295.39648 48.256946 48.256946 48.256946 112377.53 -986954.47 -890057.73 152800 4526.2713 4526.2713 -2510.5714 -2510.5714 48.257342 48.257342 48.257342 112380.3 -987061.27 -889649.35 152900 4568.4005 4568.4005 -1080.9926 -1080.9926 48.257616 48.257616 48.257616 112382.21 -986957.24 -888638.65 153000 4536.919 4536.919 -187.6994 -187.6994 48.258032 48.258032 48.258032 112385.12 -987017.91 -889376.84 153100 4575.5033 4575.5033 -1064.3231 -1064.3231 48.258496 48.258496 48.258496 112388.37 -986895.74 -888424.28 153200 4564.451 4564.451 -146.26711 -146.26711 48.258361 48.258361 48.258361 112387.42 -986860.35 -888626.75 153300 4512.6719 4512.6719 -522.39859 -522.39859 48.258195 48.258195 48.258195 112386.26 -987132.7 -890013.46 153400 4582.3835 4582.3835 238.43718 238.43718 48.258261 48.258261 48.258261 112386.72 -986999.33 -888379.8 153500 4556.8917 4556.8917 -242.45623 -242.45623 48.258364 48.258364 48.258364 112387.44 -987022.26 -888951.35 153600 4543.4455 4543.4455 -1205.9874 -1205.9874 48.258623 48.258623 48.258623 112389.25 -987140.75 -889359.22 153700 4576.9786 4576.9786 -372.65365 -372.65365 48.258566 48.258566 48.258566 112388.85 -986930.15 -888426.94 153800 4575.0402 4575.0402 -904.45107 -904.45107 48.258896 48.258896 48.258896 112391.16 -986991.91 -888530.42 153900 4627.9864 4627.9864 -1080.4115 -1080.4115 48.258878 48.258878 48.258878 112391.03 -986856.9 -887255.93 154000 4525.2986 4525.2986 -1505.1673 -1505.1673 48.258403 48.258403 48.258403 112387.71 -986951.15 -889560.17 154100 4512.4851 4512.4851 -989.19618 -989.19618 48.258263 48.258263 48.258263 112386.73 -987040.08 -889924.86 154200 4566.6705 4566.6705 -462.77937 -462.77937 48.258142 48.258142 48.258142 112385.89 -986998.9 -888717.53 154300 4539.0192 4539.0192 -328.93154 -328.93154 48.258638 48.258638 48.258638 112389.35 -987035.92 -889349.65 154400 4572.37 4572.37 475.15375 475.15375 48.25938 48.25938 48.25938 112394.54 -986934.42 -888530.39 154500 4572.7071 4572.7071 -632.62766 -632.62766 48.26013 48.26013 48.26013 112399.78 -986938.13 -888526.85 154600 4509.453 4509.453 -1208.8648 -1208.8648 48.260227 48.260227 48.260227 112400.46 -986870.87 -889820.91 154700 4527.6639 4527.6639 -408.74493 -408.74493 48.259431 48.259431 48.259431 112394.89 -987127.75 -889685.86 154800 4547.2679 4547.2679 -1003.3126 -1003.3126 48.258316 48.258316 48.258316 112387.1 -986977.12 -889113.33 154900 4493.2267 4493.2267 108.03062 108.03062 48.257023 48.257023 48.257023 112378.07 -986989.34 -890288.59 155000 4608.679 4608.679 688.60954 688.60954 48.256477 48.256477 48.256477 112374.26 -986894.14 -887708.69 155100 4541.6581 4541.6581 -849.00326 -849.00326 48.256966 48.256966 48.256966 112377.67 -987021.53 -889278.47 155200 4550.7998 4550.7998 1631.2129 1631.2129 48.257441 48.257441 48.257441 112381 -986943.23 -889003.43 155300 4569.4292 4569.4292 -1221.5583 -1221.5583 48.257901 48.257901 48.257901 112384.21 -986973.61 -888632.88 155400 4529.057 4529.057 -1392.9894 -1392.9894 48.258324 48.258324 48.258324 112387.16 -987165.54 -889693.68 155500 4606.0892 4606.0892 -558.97883 -558.97883 48.258474 48.258474 48.258474 112388.21 -987043.55 -887913.84 155600 4499.3592 4499.3592 -1385.1291 -1385.1291 48.258767 48.258767 48.258767 112390.26 -986883.06 -890050.33 155700 4581.3254 4581.3254 1273.3654 1273.3654 48.258677 48.258677 48.258677 112389.63 -987066.37 -888469.61 155800 4498.8973 4498.8973 -612.10317 -612.10317 48.258616 48.258616 48.258616 112389.2 -986939.34 -890116.55 155900 4454.9439 4454.9439 -116.99502 -116.99502 48.258888 48.258888 48.258888 112391.1 -986998.53 -891121.69 156000 4506.0967 4506.0967 -888.13 -888.13 48.258984 48.258984 48.258984 112391.77 -986885.18 -889907.45 156100 4472.1421 4472.1421 -627.81032 -627.81032 48.258993 48.258993 48.258993 112391.83 -986917.82 -890670.84 156200 4528.9622 4528.9622 -1048.5893 -1048.5893 48.258962 48.258962 48.258962 112391.62 -987010.61 -889540.78 156300 4508.6396 4508.6396 -2002.4868 -2002.4868 48.259048 48.259048 48.259048 112392.22 -986968.13 -889935.68 156400 4590.8261 4590.8261 -724.53571 -724.53571 48.258905 48.258905 48.258905 112391.22 -986957.75 -888156.52 156500 4484.8202 4484.8202 -2584.2052 -2584.2052 48.259013 48.259013 48.259013 112391.97 -986867.08 -890347.25 156600 4583.0073 4583.0073 -430.7429 -430.7429 48.258953 48.258953 48.258953 112391.55 -987033.08 -888400.13 156700 4498.4593 4498.4593 -616.34959 -616.34959 48.258632 48.258632 48.258632 112389.31 -986968.78 -890155.41 156800 4606.1679 4606.1679 819.95809 819.95809 48.258994 48.258994 48.258994 112391.84 -986982.6 -887851.19 156900 4570.0976 4570.0976 -1592.7625 -1592.7625 48.259545 48.259545 48.259545 112395.69 -987156.23 -888801.11 157000 4538.9483 4538.9483 -1307.3156 -1307.3156 48.259897 48.259897 48.259897 112398.15 -986967.4 -889282.66 157100 4521.473 4521.473 -1485.9255 -1485.9255 48.260021 48.260021 48.260021 112399.02 -987015.44 -889706.79 157200 4540.044 4540.044 -1743.0111 -1743.0111 48.259935 48.259935 48.259935 112398.42 -986838.48 -889130.16 157300 4580.5376 4580.5376 144.82609 144.82609 48.259626 48.259626 48.259626 112396.26 -987045.11 -888465.31 157400 4534.2939 4534.2939 -1622.1307 -1622.1307 48.259704 48.259704 48.259704 112396.8 -986965.05 -889380.48 157500 4546.1769 4546.1769 -1246.1831 -1246.1831 48.259556 48.259556 48.259556 112395.77 -986885.02 -889044.71 157600 4559.0378 4559.0378 -534.09198 -534.09198 48.259128 48.259128 48.259128 112392.78 -986794.78 -888677.68 157700 4546.9225 4546.9225 -958.14901 -958.14901 48.258544 48.258544 48.258544 112388.7 -986916.91 -889060.56 157800 4502.9014 4502.9014 227.28054 227.28054 48.258351 48.258351 48.258351 112387.35 -986827.36 -889918.4 157900 4581.2655 4581.2655 -145.14303 -145.14303 48.258499 48.258499 48.258499 112388.39 -986968.98 -888373.51 158000 4524.2614 4524.2614 -2093.2455 -2093.2455 48.258302 48.258302 48.258302 112387.01 -986856.4 -889487.74 158100 4549.9157 4549.9157 256.01561 256.01561 48.258082 48.258082 48.258082 112385.47 -987016.31 -889095.53 158200 4583.7412 4583.7412 -54.090859 -54.090859 48.258349 48.258349 48.258349 112387.34 -986965.96 -888317.21 158300 4574.2914 4574.2914 -603.36604 -603.36604 48.25893 48.25893 48.25893 112391.39 -987006.94 -888561.57 158400 4567.8049 4567.8049 -1578.5361 -1578.5361 48.259546 48.259546 48.259546 112395.7 -987087.34 -888781.56 158500 4541.6109 4541.6109 313.7708 313.7708 48.259306 48.259306 48.259306 112394.02 -987027.85 -889285.81 158600 4498.965 4498.965 -796.32207 -796.32207 48.259224 48.259224 48.259224 112393.45 -987013.77 -890189.53 158700 4499.7421 4499.7421 -205.51315 -205.51315 48.2591 48.2591 48.2591 112392.58 -986971.73 -890130.77 158800 4594.6223 4594.6223 60.26091 60.26091 48.258725 48.258725 48.258725 112389.96 -986950.97 -888068.04 158900 4596.2708 4596.2708 -1511.9907 -1511.9907 48.258494 48.258494 48.258494 112388.35 -987003.96 -888085.56 159000 4454 4454 -1122.6037 -1122.6037 48.258329 48.258329 48.258329 112387.2 -986935.21 -891078.68 159100 4520.269 4520.269 -621.61211 -621.61211 48.258646 48.258646 48.258646 112389.41 -986972.63 -889689.89 159200 4522.0552 4522.0552 -806.631 -806.631 48.258937 48.258937 48.258937 112391.44 -986886.09 -889564.91 159300 4552.4682 4552.4682 -1973.7496 -1973.7496 48.259334 48.259334 48.259334 112394.22 -986997.42 -889021.71 159400 4453.3234 4453.3234 -1833.2389 -1833.2389 48.259575 48.259575 48.259575 112395.9 -987129.23 -891287.26 159500 4543.3481 4543.3481 -2163.4838 -2163.4838 48.259977 48.259977 48.259977 112398.71 -986983.11 -889203.68 159600 4608.1951 4608.1951 -696.37333 -696.37333 48.259416 48.259416 48.259416 112394.79 -986978.05 -887803.02 159700 4541.5184 4541.5184 -927.41093 -927.41093 48.25889 48.25889 48.25889 112391.12 -986871.63 -889131.58 159800 4502.975 4502.975 -871.71194 -871.71194 48.259378 48.259378 48.259378 112394.53 -986867.36 -889956.82 159900 4520.5405 4520.5405 -160.34643 -160.34643 48.259913 48.259913 48.259913 112398.27 -987091.4 -889802.82 160000 4558.7875 4558.7875 -1365.1677 -1365.1677 48.259996 48.259996 48.259996 112398.84 -986908.22 -888796.51 Loop time of 1320.24 on 24 procs for 20000 steps with 7221 atoms Performance: 0.654 ns/day, 36.673 hours/ns, 15.149 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 710.62 | 756.18 | 783.35 | 67.2 | 57.28 Bond | 0.0047302 | 0.0069821 | 0.009016 | 1.4 | 0.00 Neigh | 0.022303 | 0.022949 | 0.023577 | 0.2 | 0.00 Comm | 10.418 | 36.477 | 81.52 | 299.0 | 2.76 Output | 0.059958 | 0.061557 | 0.09347 | 2.7 | 0.00 Modify | 525.1 | 526.84 | 529.19 | 6.5 | 39.90 Other | | 0.6591 | | | 0.05 Nlocal: 300.875 ave 319 max 285 min Histogram: 1 1 5 2 6 3 0 4 1 1 Nghost: 4167.92 ave 4202 max 4120 min Histogram: 2 1 0 4 1 2 4 7 1 2 Neighs: 115249 ave 122358 max 109967 min Histogram: 4 2 3 4 4 0 1 3 1 2 Total # of neighbors = 2765987 Ave neighs/atom = 383.048 Ave special neighs/atom = 0 Neighbor list builds = 1 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 160000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.5 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 160000 4558.7875 4558.7875 -1365.1731 -1365.1731 48.259996 48.259996 48.259996 112398.84 -986908.22 -888796.51 160100 4515.4494 4515.4494 -986.03154 -986.03154 48.266155 48.266155 48.266155 112441.88 -985650.47 -888471.46 160200 4570.1984 4570.1984 -2941.7052 -2941.7052 48.275207 48.275207 48.275207 112505.16 -986447.06 -888089.78 160300 4553.9208 4553.9208 -1296.9482 -1296.9482 48.279589 48.279589 48.279589 112535.8 -986697.04 -888690.07 160400 4551.11 4551.11 -1446.1301 -1446.1301 48.278857 48.278857 48.278857 112530.68 -986455.11 -888508.63 160500 4561.3121 4561.3121 -1995.191 -1995.191 48.274664 48.274664 48.274664 112501.36 -986878.81 -888712.76 160600 4527.0488 4527.0488 -840.59656 -840.59656 48.269884 48.269884 48.269884 112467.95 -986767.26 -889338.61 160700 4505.4486 4505.4486 607.34689 607.34689 48.26615 48.26615 48.26615 112441.85 -986873.34 -889909.56 160800 4576.4515 4576.4515 -1276.7378 -1276.7378 48.26414 48.26414 48.26414 112427.8 -986864.52 -888372.65 160900 4561.0497 4561.0497 -379.4541 -379.4541 48.264059 48.264059 48.264059 112427.23 -986893.21 -888732.81 161000 4509.2352 4509.2352 -2336.4543 -2336.4543 48.265202 48.265202 48.265202 112435.22 -986952.47 -889907.2 161100 4584.879 4584.879 1137.3996 1137.3996 48.267038 48.267038 48.267038 112448.05 -986907.82 -888234.59 161200 4592.4191 4592.4191 370.72722 370.72722 48.269072 48.269072 48.269072 112462.27 -987001.68 -888166.17 161300 4592.6893 4592.6893 -1271.4651 -1271.4651 48.27055 48.27055 48.27055 112472.6 -987020.22 -888178.9 161400 4532.564 4532.564 -1018.783 -1018.783 48.270981 48.270981 48.270981 112475.61 -986790.1 -889242.75 161500 4544.3269 4544.3269 -1141.6319 -1141.6319 48.270445 48.270445 48.270445 112471.87 -986850.63 -889050.13 161600 4556.7016 4556.7016 1231.5332 1231.5332 48.269663 48.269663 48.269663 112466.4 -987043.33 -888976.51 161700 4576.4491 4576.4491 -1255.1061 -1255.1061 48.269537 48.269537 48.269537 112465.52 -986946.01 -888454.2 161800 4546.8256 4546.8256 72.464293 72.464293 48.269478 48.269478 48.269478 112465.11 -986927.94 -889073.67 161900 4599.3491 4599.3491 -1433.3371 -1433.3371 48.269914 48.269914 48.269914 112468.16 -986969.39 -887984.74 162000 4548.2682 4548.2682 -757.04799 -757.04799 48.270149 48.270149 48.270149 112469.8 -987016.83 -889131.51 162100 4500.8594 4500.8594 -1879.0662 -1879.0662 48.270471 48.270471 48.270471 112472.05 -986965.43 -890100.41 162200 4580.6131 4580.6131 -461.03702 -461.03702 48.270361 48.270361 48.270361 112471.28 -986770.9 -888189.47 162300 4508.1207 4508.1207 -765.68143 -765.68143 48.270305 48.270305 48.270305 112470.89 -986832.67 -889811.38 162400 4569.5909 4569.5909 -1758.684 -1758.684 48.270208 48.270208 48.270208 112470.21 -986793.74 -888449.52 162500 4514.4006 4514.4006 -1751.7725 -1751.7725 48.270581 48.270581 48.270581 112472.82 -986924.66 -889768.22 162600 4534.7001 4534.7001 -309.54449 -309.54449 48.270792 48.270792 48.270792 112474.3 -986833.41 -889240.1 162700 4512.4269 4512.4269 -99.772791 -99.772791 48.271055 48.271055 48.271055 112476.13 -987009.11 -889895.14 162800 4477.1557 4477.1557 -1177.7069 -1177.7069 48.271575 48.271575 48.271575 112479.77 -986932.09 -890577.21 162900 4545.6437 4545.6437 -765.57205 -765.57205 48.272024 48.272024 48.272024 112482.91 -986965.71 -889136.87 163000 4484.8001 4484.8001 -565.97851 -565.97851 48.272145 48.272145 48.272145 112483.75 -986905.58 -890386.18 163100 4548.4494 4548.4494 -1772.9828 -1772.9828 48.27229 48.27229 48.27229 112484.76 -986844.99 -888955.77 163200 4553.3894 4553.3894 -766.94251 -766.94251 48.27167 48.27167 48.27167 112480.43 -986917.94 -888922.4 163300 4659.0119 4659.0119 -1117.0099 -1117.0099 48.271368 48.271368 48.271368 112478.32 -986817.56 -886548.87 163400 4524.0893 4524.0893 -1706.5004 -1706.5004 48.270901 48.270901 48.270901 112475.06 -986841.64 -889476.68 163500 4519.2482 4519.2482 -2316.6635 -2316.6635 48.270371 48.270371 48.270371 112471.35 -986953.38 -889692.61 163600 4595.434 4595.434 -1391.0541 -1391.0541 48.270045 48.270045 48.270045 112469.07 -987004.71 -888104.31 163700 4518.4681 4518.4681 39.255224 39.255224 48.26992 48.26992 48.26992 112468.2 -986908.28 -889664.3 163800 4487.3299 4487.3299 -2651.5421 -2651.5421 48.270943 48.270943 48.270943 112475.35 -986921.9 -890348.06 163900 4491.1923 4491.1923 -1947.6736 -1947.6736 48.272034 48.272034 48.272034 112482.97 -986870.16 -890213.2 164000 4523.0047 4523.0047 -565.01102 -565.01102 48.272992 48.272992 48.272992 112489.67 -986912.26 -889570.65 164100 4498.2819 4498.2819 -2479.5891 -2479.5891 48.2735 48.2735 48.2735 112493.22 -987051.87 -890242.33 164200 4557.6016 4557.6016 -758.31218 -758.31218 48.273588 48.273588 48.273588 112493.84 -986774.39 -888688.2 164300 4545.0054 4545.0054 -1951.712 -1951.712 48.273836 48.273836 48.273836 112495.57 -986820.34 -889005.24 164400 4533.7727 4533.7727 -1023.8598 -1023.8598 48.273603 48.273603 48.273603 112493.95 -986786.16 -889212.8 164500 4527.0635 4527.0635 -1146.3325 -1146.3325 48.273362 48.273362 48.273362 112492.26 -986963.73 -889534.76 164600 4463.5714 4463.5714 -2345.0238 -2345.0238 48.272808 48.272808 48.272808 112488.39 -986856.97 -890794.45 164700 4549.0499 4549.0499 -1667.354 -1667.354 48.271945 48.271945 48.271945 112482.36 -986874.12 -888971.98 164800 4523.1025 4523.1025 -473.31459 -473.31459 48.271271 48.271271 48.271271 112477.64 -986879.82 -889536.11 164900 4556.2384 4556.2384 16.276318 16.276318 48.271899 48.271899 48.271899 112482.03 -986873.41 -888816.56 165000 4563.8032 4563.8032 1186.5813 1186.5813 48.272111 48.272111 48.272111 112483.52 -986912.71 -888693.05 165100 4631.5457 4631.5457 -968.52224 -968.52224 48.272943 48.272943 48.272943 112489.33 -986934.43 -887256.86 165200 4481.5578 4481.5578 -2804.2558 -2804.2558 48.273574 48.273574 48.273574 112493.74 -986955.6 -890505.99 165300 4525.6578 4525.6578 -2264.4487 -2264.4487 48.273821 48.273821 48.273821 112495.47 -986846.86 -889448.14 165400 4580.8043 4580.8043 -606.01445 -606.01445 48.273601 48.273601 48.273601 112493.93 -986800.97 -888215.43 165500 4549.5753 4549.5753 -1887.606 -1887.606 48.273221 48.273221 48.273221 112491.27 -986939.95 -889026.5 165600 4560.1596 4560.1596 -1383.0887 -1383.0887 48.27277 48.27277 48.27277 112488.12 -986925.59 -888784.35 165700 4546.7286 4546.7286 -1196.0275 -1196.0275 48.272463 48.272463 48.272463 112485.98 -986894.09 -889041.91 165800 4491.2237 4491.2237 -2779.5321 -2779.5321 48.272316 48.272316 48.272316 112484.95 -986817.69 -890160.05 165900 4590.926 4590.926 -357.23724 -357.23724 48.272586 48.272586 48.272586 112486.83 -986892.13 -888088.75 166000 4521.7782 4521.7782 -1792.8694 -1792.8694 48.273194 48.273194 48.273194 112491.08 -986955.18 -889639.96 166100 4556.5642 4556.5642 -406.19604 -406.19604 48.273722 48.273722 48.273722 112494.78 -986939.09 -888875.22 166200 4506.7229 4506.7229 -1241.4934 -1241.4934 48.273914 48.273914 48.273914 112496.12 -986794.94 -889803.73 166300 4523.4101 4523.4101 -654.19351 -654.19351 48.27479 48.27479 48.27479 112502.25 -986953.86 -889603.52 166400 4559.2161 4559.2161 -345.69567 -345.69567 48.275562 48.275562 48.275562 112507.64 -987045.9 -888924.96 166500 4478.2141 4478.2141 -203.40997 -203.40997 48.275237 48.275237 48.275237 112505.37 -986890.55 -890512.9 166600 4563.5382 4563.5382 -1333.5992 -1333.5992 48.275106 48.275106 48.275106 112504.45 -986825.97 -888612.01 166700 4482.1872 4482.1872 -939.83407 -939.83407 48.274636 48.274636 48.274636 112501.16 -986852.45 -890389.29 166800 4521.8113 4521.8113 -636.79695 -636.79695 48.27429 48.27429 48.27429 112498.75 -986723.9 -889407.97 166900 4589.7426 4589.7426 -739.63404 -739.63404 48.274361 48.274361 48.274361 112499.24 -986991.45 -888213.54 167000 4569.4033 4569.4033 -1827.0522 -1827.0522 48.274268 48.274268 48.274268 112498.59 -986784.36 -888444.19 167100 4544.6953 4544.6953 -312.90544 -312.90544 48.273889 48.273889 48.273889 112495.95 -986885.36 -889076.94 167200 4501.1317 4501.1317 -645.17925 -645.17925 48.273997 48.273997 48.273997 112496.7 -986850.48 -889979.6 167300 4538.3714 4538.3714 -865.63359 -865.63359 48.274457 48.274457 48.274457 112499.92 -986870.61 -889198.28 167400 4532.2882 4532.2882 -1643.2787 -1643.2787 48.275312 48.275312 48.275312 112505.89 -986881.9 -889340.5 167500 4446.3557 4446.3557 -1216.8963 -1216.8963 48.27557 48.27557 48.27557 112507.7 -987028.17 -891336.16 167600 4597.2822 4597.2822 -843.45729 -843.45729 48.275366 48.275366 48.275366 112506.27 -986940.9 -888000.73 167700 4550.9003 4550.9003 -1191.1575 -1191.1575 48.274798 48.274798 48.274798 112502.3 -986892.59 -888950.62 167800 4555.9488 4555.9488 -1431.859 -1431.859 48.274207 48.274207 48.274207 112498.17 -986818.4 -888767.79 167900 4546.4223 4546.4223 -1062.2454 -1062.2454 48.274439 48.274439 48.274439 112499.79 -986864.52 -889018.93 168000 4515.9865 4515.9865 -969.63877 -969.63877 48.274522 48.274522 48.274522 112500.37 -986831.09 -889640.52 168100 4653.2086 4653.2086 519.04029 519.04029 48.274759 48.274759 48.274759 112502.03 -986899.83 -886756.04 168200 4462.232 4462.232 -2114.781 -2114.781 48.274663 48.274663 48.274663 112501.36 -986830.26 -890796.56 168300 4582.9026 4582.9026 -414.21825 -414.21825 48.274581 48.274581 48.274581 112500.78 -986814.96 -888184.26 168400 4510.9193 4510.9193 -1775.1555 -1775.1555 48.27503 48.27503 48.27503 112503.92 -986810.18 -889728.67 168500 4527.7776 4527.7776 -1166.4478 -1166.4478 48.275423 48.275423 48.275423 112506.67 -986932.95 -889488.62 168600 4527.7862 4527.7862 -2315.5641 -2315.5641 48.275374 48.275374 48.275374 112506.33 -986942.93 -889498.41 168700 4561.804 4561.804 -1412.3068 -1412.3068 48.275397 48.275397 48.275397 112506.49 -986887.19 -888710.56 168800 4565.6697 4565.6697 -1772.0346 -1772.0346 48.275833 48.275833 48.275833 112509.53 -986993.88 -888734.06 168900 4558.7341 4558.7341 -896.1025 -896.1025 48.275992 48.275992 48.275992 112510.65 -986885.26 -888774.69 169000 4571.4566 4571.4566 -935.37288 -935.37288 48.275376 48.275376 48.275376 112506.34 -986853.37 -888469.01 169100 4616.9969 4616.9969 -63.477784 -63.477784 48.275415 48.275415 48.275415 112506.62 -986829.43 -887464.97 169200 4577.8362 4577.8362 -1331.8537 -1331.8537 48.275931 48.275931 48.275931 112510.22 -986960.7 -888439.04 169300 4542.9543 4542.9543 -362.52972 -362.52972 48.275898 48.275898 48.275898 112509.99 -986958.63 -889187.67 169400 4563.3448 4563.3448 -521.66464 -521.66464 48.275788 48.275788 48.275788 112509.22 -986934.42 -888724.63 169500 4586.0175 4586.0175 336.93507 336.93507 48.275531 48.275531 48.275531 112507.43 -986939.96 -888242.22 169600 4588.3851 4588.3851 14.966077 14.966077 48.27565 48.27565 48.27565 112508.25 -986887.71 -888139.02 169700 4531.2589 4531.2589 -107.73621 -107.73621 48.276286 48.276286 48.276286 112512.7 -986861.9 -889342.65 169800 4592.9325 4592.9325 -477.49217 -477.49217 48.276849 48.276849 48.276849 112516.64 -986909.13 -888062.57 169900 4500.8314 4500.8314 -1508.3237 -1508.3237 48.277252 48.277252 48.277252 112519.46 -986895.42 -890031.01 170000 4573.2367 4573.2367 28.445338 28.445338 48.277571 48.277571 48.277571 112521.69 -986795.47 -888372.79 170100 4544.8138 4544.8138 -2186.2774 -2186.2774 48.277764 48.277764 48.277764 112523.04 -986870.37 -889059.39 170200 4628.6056 4628.6056 272.57922 272.57922 48.277065 48.277065 48.277065 112518.15 -986819.77 -887205.47 170300 4562.4632 4562.4632 -710.07759 -710.07759 48.276526 48.276526 48.276526 112514.38 -986927.3 -888736.49 170400 4562.3813 4562.3813 -1906.1928 -1906.1928 48.276341 48.276341 48.276341 112513.09 -986906.47 -888717.41 170500 4534.2213 4534.2213 -1543.7654 -1543.7654 48.276154 48.276154 48.276154 112511.78 -986803.7 -889220.69 170600 4570.7116 4570.7116 -653.75245 -653.75245 48.276103 48.276103 48.276103 112511.42 -986891.12 -888522.78 170700 4493.0733 4493.0733 -2039.4192 -2039.4192 48.2765 48.2765 48.2765 112514.2 -986817.91 -890120.47 170800 4501.1764 4501.1764 -762.70797 -762.70797 48.276357 48.276357 48.276357 112513.2 -986879.42 -890007.58 170900 4538.3027 4538.3027 -151.58014 -151.58014 48.276279 48.276279 48.276279 112512.65 -987024.22 -889353.37 171000 4551.1313 4551.1313 -1622.0891 -1622.0891 48.276299 48.276299 48.276299 112512.79 -986876.78 -888929.84 171100 4567.8621 4567.8621 -1192.9158 -1192.9158 48.276401 48.276401 48.276401 112513.5 -986984.97 -888677.96 171200 4474.18 4474.18 301.46737 301.46737 48.276514 48.276514 48.276514 112514.3 -986679.72 -890388.88 171300 4586.28 4586.28 359.55824 359.55824 48.2771 48.2771 48.2771 112518.39 -986911.76 -888208.37 171400 4507.116 4507.116 -1184.478 -1184.478 48.277864 48.277864 48.277864 112523.74 -986859.35 -889859.68 171500 4588.9185 4588.9185 -843.31105 -843.31105 48.278131 48.278131 48.278131 112525.6 -986750.97 -887990.8 171600 4544.6751 4544.6751 -1904.9759 -1904.9759 48.27855 48.27855 48.27855 112528.53 -987022.14 -889214.14 171700 4546.4967 4546.4967 -1934.6774 -1934.6774 48.278293 48.278293 48.278293 112526.73 -986894.21 -889047.02 171800 4531.8726 4531.8726 -1956.7207 -1956.7207 48.277506 48.277506 48.277506 112521.23 -986925.88 -889393.42 171900 4547.1442 4547.1442 -60.863884 -60.863884 48.277073 48.277073 48.277073 112518.2 -986923.68 -889062.55 172000 4580.6557 4580.6557 487.64529 487.64529 48.276961 48.276961 48.276961 112517.42 -986947.9 -888365.56 172100 4566.9831 4566.9831 -899.36186 -899.36186 48.27694 48.27694 48.27694 112517.27 -986761.97 -888473.88 172200 4547.7389 4547.7389 -294.02249 -294.02249 48.277024 48.277024 48.277024 112517.86 -986921.35 -889047.42 172300 4504.6996 4504.6996 -2511.49 -2511.49 48.277439 48.277439 48.277439 112520.77 -986952.76 -890005.1 172400 4526.8252 4526.8252 398.82378 398.82378 48.277484 48.277484 48.277484 112521.08 -986939.46 -889515.62 172500 4516.6274 4516.6274 -396.92217 -396.92217 48.277455 48.277455 48.277455 112520.87 -986930.51 -889726.14 172600 4619.8453 4619.8453 -603.22409 -603.22409 48.277913 48.277913 48.277913 112524.08 -986854.1 -887428.34 172700 4631.4303 4631.4303 356.41797 356.41797 48.277741 48.277741 48.277741 112522.88 -986982.48 -887307.39 172800 4524.2736 4524.2736 -1712.0895 -1712.0895 48.278339 48.278339 48.278339 112527.05 -986936.34 -889567.42 172900 4525.8453 4525.8453 -1427.9084 -1427.9084 48.278359 48.278359 48.278359 112527.2 -986835.45 -889432.71 173000 4562.2953 4562.2953 -797.91859 -797.91859 48.278215 48.278215 48.278215 112526.19 -986888.32 -888701.12 173100 4543.6978 4543.6978 -1401.2663 -1401.2663 48.278076 48.278076 48.278076 112525.22 -986832.89 -889045.93 173200 4437.1226 4437.1226 -2733.8121 -2733.8121 48.27799 48.27799 48.27799 112524.61 -986898.37 -891405.06 173300 4521.6408 4521.6408 132.11795 132.11795 48.278026 48.278026 48.278026 112524.87 -986785.77 -889473.51 173400 4603.6038 4603.6038 -1289.8337 -1289.8337 48.277952 48.277952 48.277952 112524.35 -986870.05 -887793.83 173500 4495.365 4495.365 -1787.8849 -1787.8849 48.277627 48.277627 48.277627 112522.08 -986922.69 -890175.92 173600 4551.4176 4551.4176 -1526.4879 -1526.4879 48.277583 48.277583 48.277583 112521.77 -986751.66 -888798.56 173700 4552.8246 4552.8246 -1605.1088 -1605.1088 48.278063 48.278063 48.278063 112525.13 -986818.16 -888834.78 173800 4504.1743 4504.1743 -1780.5478 -1780.5478 48.278601 48.278601 48.278601 112528.89 -986816.45 -889880.1 173900 4560.3321 4560.3321 -879.5594 -879.5594 48.278398 48.278398 48.278398 112527.47 -986884.97 -888740.02 174000 4603.6536 4603.6536 -698.20125 -698.20125 48.278355 48.278355 48.278355 112527.17 -986718.22 -887640.92 174100 4480.4376 4480.4376 -1825.6507 -1825.6507 48.278493 48.278493 48.278493 112528.14 -986914.21 -890488.7 174200 4585.0772 4585.0772 -1226.3533 -1226.3533 48.278355 48.278355 48.278355 112527.17 -986697.63 -888020.13 174300 4554.6846 4554.6846 -1232.0335 -1232.0335 48.278326 48.278326 48.278326 112526.97 -986768.4 -888744.99 174400 4533.5804 4533.5804 -803.90917 -803.90917 48.277894 48.277894 48.277894 112523.94 -986911.99 -889342.77 174500 4501.864 4501.864 107.63 107.63 48.277661 48.277661 48.277661 112522.31 -986833.53 -889946.9 174600 4503.2705 4503.2705 -1138.3615 -1138.3615 48.278196 48.278196 48.278196 112526.06 -986991.64 -890074.73 174700 4607.6325 4607.6325 -1266.3559 -1266.3559 48.279085 48.279085 48.279085 112532.27 -986886.33 -887723.4 174800 4502.1693 4502.1693 -2022.5662 -2022.5662 48.27942 48.27942 48.27942 112534.62 -986910.7 -890017.49 174900 4517.2235 4517.2235 -1237.9529 -1237.9529 48.279223 48.279223 48.279223 112533.23 -986960.72 -889743.53 175000 4528.4621 4528.4621 -1592.6413 -1592.6413 48.278818 48.278818 48.278818 112530.4 -987056.73 -889597.66 175100 4543.5507 4543.5507 -367.64153 -367.64153 48.278473 48.278473 48.278473 112527.99 -986944.9 -889161.11 175200 4564.6707 4564.6707 -485.30989 -485.30989 48.277847 48.277847 48.277847 112523.62 -986864.17 -888625.84 175300 4599.5445 4599.5445 -1938.1484 -1938.1484 48.277791 48.277791 48.277791 112523.22 -986925.64 -887936.78 175400 4546.043 4546.043 -1259.9127 -1259.9127 48.27795 48.27795 48.27795 112524.34 -986929.97 -889092.54 175500 4573.6508 4573.6508 679.915 679.915 48.277742 48.277742 48.277742 112522.88 -986841.86 -888410.27 175600 4589.7494 4589.7494 -528.22344 -528.22344 48.27827 48.27827 48.27827 112526.57 -986873.16 -888095.11 175700 4502.6703 4502.6703 -1123.3765 -1123.3765 48.278826 48.278826 48.278826 112530.46 -986905.2 -890001.21 175800 4511.2978 4511.2978 -1716.2657 -1716.2657 48.278882 48.278882 48.278882 112530.85 -986881.56 -889791.89 175900 4601.1674 4601.1674 -1519.8994 -1519.8994 48.278729 48.278729 48.278729 112529.78 -986804.2 -887780.41 176000 4526.229 4526.229 -1473.7333 -1473.7333 48.278996 48.278996 48.278996 112531.65 -986817.18 -889406.17 176100 4498.5646 4498.5646 107.54261 107.54261 48.279148 48.279148 48.279148 112532.71 -986951.23 -890135.6 176200 4464.9707 4464.9707 -2365.628 -2365.628 48.279346 48.279346 48.279346 112534.1 -986918.62 -890825.98 176300 4511.1837 4511.1837 -1620.839 -1620.839 48.279284 48.279284 48.279284 112533.67 -986911.3 -889824.09 176400 4582.8918 4582.8918 549.61836 549.61836 48.279308 48.279308 48.279308 112533.83 -986895.39 -888264.92 176500 4543.5571 4543.5571 -2285.323 -2285.323 48.279764 48.279764 48.279764 112537.02 -986892.15 -889108.22 176600 4600.1362 4600.1362 -877.08176 -877.08176 48.279964 48.279964 48.279964 112538.42 -986934.53 -887932.93 176700 4504.3781 4504.3781 -2386.2345 -2386.2345 48.279836 48.279836 48.279836 112537.53 -986777.44 -889836.7 176800 4569.6906 4569.6906 -953.35134 -953.35134 48.279893 48.279893 48.279893 112537.92 -986793.65 -888447.28 176900 4550.2823 4550.2823 -1531.0783 -1531.0783 48.279766 48.279766 48.279766 112537.04 -986965.41 -889036.75 177000 4567.7721 4567.7721 -1014.7546 -1014.7546 48.279743 48.279743 48.279743 112536.87 -987056.34 -888751.26 177100 4551.9022 4551.9022 -1314.7919 -1314.7919 48.279739 48.279739 48.279739 112536.84 -986832.25 -888868.73 177200 4548.8502 4548.8502 -1181.898 -1181.898 48.279834 48.279834 48.279834 112537.51 -987001.46 -889103.62 177300 4567.2619 4567.2619 -1020.7851 -1020.7851 48.279679 48.279679 48.279679 112536.43 -986856.32 -888562.23 177400 4525.2875 4525.2875 -2659.2225 -2659.2225 48.279284 48.279284 48.279284 112533.66 -986740.66 -889349.92 177500 4494.091 4494.091 277.83434 277.83434 48.278993 48.278993 48.278993 112531.63 -986784.48 -890065.14 177600 4498.9141 4498.9141 -1753.7194 -1753.7194 48.27912 48.27912 48.27912 112532.52 -987045.11 -890221.96 177700 4522.8924 4522.8924 -826.88926 -826.88926 48.278783 48.278783 48.278783 112530.16 -986867.46 -889528.27 177800 4608.6557 4608.6557 -404.46622 -404.46622 48.278493 48.278493 48.278493 112528.13 -987003.38 -887818.44 177900 4541.7084 4541.7084 -1648.4402 -1648.4402 48.278078 48.278078 48.278078 112525.23 -986935.99 -889191.84 178000 4519.1784 4519.1784 -392.565 -392.565 48.278088 48.278088 48.278088 112525.3 -986928.06 -889668.8 178100 4564.3972 4564.3972 -2930.6452 -2930.6452 48.278298 48.278298 48.278298 112526.77 -986846.07 -888613.63 178200 4494.774 4494.774 -1864.1359 -1864.1359 48.278357 48.278357 48.278357 112527.19 -986857.24 -890123.2 178300 4518.6674 4518.6674 -2235.1422 -2235.1422 48.27852 48.27852 48.27852 112528.32 -986954.03 -889705.76 178400 4594.9316 4594.9316 -1183.0125 -1183.0125 48.278613 48.278613 48.278613 112528.98 -986883.17 -887993.59 178500 4483.6082 4483.6082 -3235.9701 -3235.9701 48.278954 48.278954 48.278954 112531.36 -986753.46 -890259.72 178600 4533.1138 4533.1138 -2030.167 -2030.167 48.278844 48.278844 48.278844 112530.58 -986920.57 -889361.39 178700 4533.9163 4533.9163 -1052.8205 -1052.8205 48.278903 48.278903 48.278903 112531 -986879.99 -889303.54 178800 4539.3272 4539.3272 -1993.0703 -1993.0703 48.279223 48.279223 48.279223 112533.24 -987000.94 -889308.04 178900 4512.3657 4512.3657 -408.75388 -408.75388 48.279408 48.279408 48.279408 112534.53 -986745.83 -889633.18 179000 4536.9716 4536.9716 -55.241819 -55.241819 48.279599 48.279599 48.279599 112535.87 -986848.74 -889206.54 179100 4558.0223 4558.0223 -1256.4424 -1256.4424 48.279661 48.279661 48.279661 112536.3 -986809.89 -888714.64 179200 4534.8377 4534.8377 -765.30823 -765.30823 48.279195 48.279195 48.279195 112533.04 -986917.37 -889321.09 179300 4571.6924 4571.6924 -77.736269 -77.736269 48.278882 48.278882 48.278882 112530.86 -986862.65 -888473.21 179400 4526.5471 4526.5471 -1212.7033 -1212.7033 48.278612 48.278612 48.278612 112528.97 -986839.77 -889421.92 179500 4578.4007 4578.4007 510.88913 510.88913 48.278767 48.278767 48.278767 112530.05 -986799.82 -888266.01 179600 4495.5613 4495.5613 -333.52713 -333.52713 48.278948 48.278948 48.278948 112531.32 -986876.04 -890125.05 179700 4581.8296 4581.8296 -1152.0079 -1152.0079 48.279411 48.279411 48.279411 112534.55 -986846.21 -888238.59 179800 4580.4015 4580.4015 235.27795 235.27795 48.279612 48.279612 48.279612 112535.96 -986800.06 -888223.19 179900 4509.2802 4509.2802 -1291.7931 -1291.7931 48.279321 48.279321 48.279321 112533.93 -986846.09 -889799.85 180000 4616.1134 4616.1134 -285.45156 -285.45156 48.279311 48.279311 48.279311 112533.85 -986851.87 -887506.43 Loop time of 1319.65 on 24 procs for 20000 steps with 7221 atoms Performance: 0.655 ns/day, 36.657 hours/ns, 15.156 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 709.74 | 755.53 | 783.93 | 67.2 | 57.25 Bond | 0.004518 | 0.006935 | 0.010046 | 1.5 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 10.436 | 37.4 | 82.85 | 295.1 | 2.83 Output | 0.050956 | 0.052505 | 0.084642 | 2.9 | 0.00 Modify | 523.94 | 525.99 | 529.19 | 8.4 | 39.86 Other | | 0.6691 | | | 0.05 Nlocal: 300.875 ave 319 max 283 min Histogram: 1 1 4 3 4 4 2 0 3 2 Nghost: 4169.71 ave 4214 max 4118 min Histogram: 2 1 1 3 1 4 8 1 1 2 Neighs: 115238 ave 122424 max 109507 min Histogram: 3 3 3 1 7 0 2 0 3 2 Total # of neighbors = 2765709 Ave neighs/atom = 383.009 Ave special neighs/atom = 0 Neighbor list builds = 0 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 180000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.5 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 180000 4616.1134 4616.1134 -285.64225 -285.64225 48.279311 48.279311 48.279311 112533.85 -986851.88 -887506.43 180100 4510.3291 4510.3291 -483.26865 -483.26865 48.28493 48.28493 48.28493 112573.15 -985601.37 -888532.55 180200 4574.0843 4574.0843 -1404.9177 -1404.9177 48.29331 48.29331 48.29331 112631.77 -986194.44 -887753.52 180300 4552.8832 4552.8832 -3287.757 -3287.757 48.298178 48.298178 48.298178 112665.83 -986482.88 -888498.24 180400 4577.7854 4577.7854 -2311.1648 -2311.1648 48.298374 48.298374 48.298374 112667.21 -986741.31 -888220.74 180500 4553.8669 4553.8669 -1830.0655 -1830.0655 48.295832 48.295832 48.295832 112649.42 -986825.72 -888819.9 180600 4499.8434 4499.8434 -2272.2439 -2272.2439 48.291447 48.291447 48.291447 112618.74 -986611.24 -889768.09 180700 4585.5396 4585.5396 -1093.1758 -1093.1758 48.287572 48.287572 48.287572 112591.63 -986784.19 -888096.74 180800 4578.4056 4578.4056 -327.44971 -327.44971 48.285447 48.285447 48.285447 112576.77 -986769.59 -888235.67 180900 4579.903 4579.903 184.42342 184.42342 48.285377 48.285377 48.285377 112576.28 -986843.38 -888277.23 181000 4503.4043 4503.4043 -2210.5936 -2210.5936 48.287368 48.287368 48.287368 112590.21 -986892.81 -889973.03 181100 4525.2509 4525.2509 -2363.6127 -2363.6127 48.289667 48.289667 48.289667 112606.29 -986712.56 -889322.6 181200 4486.1481 4486.1481 -3083.2083 -3083.2083 48.291861 48.291861 48.291861 112621.63 -986837.06 -890288.66 181300 4526.625 4526.625 -1366.3393 -1366.3393 48.293128 48.293128 48.293128 112630.5 -986762.77 -889343.25 181400 4577.7182 4577.7182 -1535.3379 -1535.3379 48.293607 48.293607 48.293607 112633.85 -986876.54 -888357.41 181500 4446.1459 4446.1459 -2529.3904 -2529.3904 48.293253 48.293253 48.293253 112631.38 -986859.69 -891172.19 181600 4492.0253 4492.0253 -2704.6659 -2704.6659 48.292616 48.292616 48.292616 112626.91 -986823.7 -890148.81 181700 4584.9269 4584.9269 -2060.7073 -2060.7073 48.292285 48.292285 48.292285 112624.6 -986760.39 -888086.12 181800 4560.6388 4560.6388 -494.76889 -494.76889 48.292151 48.292151 48.292151 112623.66 -986786.87 -888635.31 181900 4534.5656 4534.5656 -1195.9144 -1195.9144 48.292262 48.292262 48.292262 112624.44 -986845.64 -889255.22 182000 4507.4147 4507.4147 -2671.0585 -2671.0585 48.29282 48.29282 48.29282 112628.34 -986760.17 -889754.07 182100 4486.6231 4486.6231 -2136.3699 -2136.3699 48.2934 48.2934 48.2934 112632.4 -986791.41 -890232.78 182200 4512.7085 4512.7085 -2258.2777 -2258.2777 48.294035 48.294035 48.294035 112636.85 -986918.64 -889798.61 182300 4544.0477 4544.0477 -502.60558 -502.60558 48.294429 48.294429 48.294429 112639.6 -986731.54 -888937.05 182400 4448.0737 4448.0737 -3074.0502 -3074.0502 48.294461 48.294461 48.294461 112639.83 -986755.54 -891026.55 182500 4516.5615 4516.5615 -2703.1201 -2703.1201 48.293731 48.293731 48.293731 112634.72 -986753.94 -889550.99 182600 4562.4733 4562.4733 368.78195 368.78195 48.293283 48.293283 48.293283 112631.58 -986691.27 -888500.24 182700 4568.5548 4568.5548 -721.53078 -721.53078 48.292982 48.292982 48.292982 112629.48 -986756.43 -888434.51 182800 4600.257 4600.257 -2.493261 -2.493261 48.293218 48.293218 48.293218 112631.13 -986808.72 -887804.53 182900 4522.7407 4522.7407 -963.02404 -963.02404 48.293551 48.293551 48.293551 112633.46 -986728.15 -889392.22 183000 4550.4915 4550.4915 -1247.3367 -1247.3367 48.293883 48.293883 48.293883 112635.79 -986765.89 -888832.72 183100 4570.8487 4570.8487 -1127.4317 -1127.4317 48.294207 48.294207 48.294207 112638.05 -986808.3 -888437.02 183200 4564.885 4564.885 -1304.8989 -1304.8989 48.294725 48.294725 48.294725 112641.67 -986589.83 -888346.89 183300 4537.6374 4537.6374 -2334.8951 -2334.8951 48.295184 48.295184 48.295184 112644.88 -986803.88 -889147.34 183400 4514.9748 4514.9748 -1113.5004 -1113.5004 48.294845 48.294845 48.294845 112642.51 -986891.97 -889723.17 183500 4527.407 4527.407 -2319.3442 -2319.3442 48.294686 48.294686 48.294686 112641.4 -986958.13 -889521.77 183600 4530.6534 4530.6534 -1752.6793 -1752.6793 48.294528 48.294528 48.294528 112640.3 -987169.41 -889663.19 183700 4523.1186 4523.1186 -1853.261 -1853.261 48.294093 48.294093 48.294093 112637.25 -986864.18 -889520.12 183800 4530.3755 4530.3755 -1633.1132 -1633.1132 48.293882 48.293882 48.293882 112635.78 -986957.42 -889457.17 183900 4558.327 4558.327 -906.58333 -906.58333 48.294027 48.294027 48.294027 112636.79 -986802.37 -888700.57 184000 4568.2309 4568.2309 -2162.1239 -2162.1239 48.294287 48.294287 48.294287 112638.61 -986822.45 -888507.51 184100 4567.3464 4567.3464 -1108.2194 -1108.2194 48.294606 48.294606 48.294606 112640.84 -986803.82 -888507.91 184200 4505.4822 4505.4822 -1698.7128 -1698.7128 48.295414 48.295414 48.295414 112646.5 -986855.8 -889891.3 184300 4482.4881 4482.4881 -1707.1256 -1707.1256 48.296294 48.296294 48.296294 112652.65 -986689.64 -890220 184400 4535.2697 4535.2697 -867.91945 -867.91945 48.296872 48.296872 48.296872 112656.69 -986701.44 -889095.87 184500 4545.4579 4545.4579 -2901.3847 -2901.3847 48.297018 48.297018 48.297018 112657.72 -986914.14 -889089.3 184600 4575.3454 4575.3454 -843.59699 -843.59699 48.296899 48.296899 48.296899 112656.89 -986817.3 -888349.24 184700 4589.949 4589.949 -1121.2006 -1121.2006 48.296666 48.296666 48.296666 112655.26 -986693.78 -887911.42 184800 4549.379 4549.379 -699.16803 -699.16803 48.296084 48.296084 48.296084 112651.18 -986889.85 -888980.62 184900 4524.4359 4524.4359 -617.78235 -617.78235 48.296068 48.296068 48.296068 112651.07 -986783.1 -889410.68 185000 4632.7547 4632.7547 -1485.9171 -1485.9171 48.295941 48.295941 48.295941 112650.18 -986812.84 -887109.25 185100 4509.4924 4509.4924 -618.85791 -618.85791 48.29558 48.29558 48.29558 112647.65 -986973.57 -889922.76 185200 4535.3245 4535.3245 -2141.25 -2141.25 48.29591 48.29591 48.29591 112649.96 -986721.27 -889114.52 185300 4557.7385 4557.7385 -2228.9151 -2228.9151 48.296526 48.296526 48.296526 112654.27 -986765.21 -888676.08 185400 4525.6331 4525.6331 -2856.4612 -2856.4612 48.296931 48.296931 48.296931 112657.11 -986736.22 -889338.04 185500 4579.8144 4579.8144 -1078.4301 -1078.4301 48.297121 48.297121 48.297121 112658.44 -986738.44 -888174.2 185600 4558.6398 4558.6398 -1635.7503 -1635.7503 48.297338 48.297338 48.297338 112659.96 -986824.66 -888716.13 185700 4501.4824 4501.4824 -2639.2821 -2639.2821 48.297579 48.297579 48.297579 112661.65 -986856.54 -889978.12 185800 4587.1625 4587.1625 -1363.2791 -1363.2791 48.297673 48.297673 48.297673 112662.3 -986745.19 -888022.81 185900 4603.679 4603.679 -1267.1557 -1267.1557 48.298102 48.298102 48.298102 112665.3 -986888.97 -887811.13 186000 4491.0049 4491.0049 -2316.6428 -2316.6428 48.298265 48.298265 48.298265 112666.45 -986756.52 -890103.59 186100 4576.1786 4576.1786 -625.62486 -625.62486 48.297953 48.297953 48.297953 112664.26 -986863.96 -888377.97 186200 4491.2722 4491.2722 -902.32554 -902.32554 48.297407 48.297407 48.297407 112660.44 -986647.29 -889988.61 186300 4524.3541 4524.3541 -1949.5946 -1949.5946 48.297235 48.297235 48.297235 112659.24 -986861.07 -889490.42 186400 4607.9096 4607.9096 -1178.6319 -1178.6319 48.296964 48.296964 48.296964 112657.34 -986917.44 -887748.55 186500 4568.0549 4568.0549 -1489.1623 -1489.1623 48.296851 48.296851 48.296851 112656.55 -986930.26 -888619.1 186600 4550.5709 4550.5709 -936.95134 -936.95134 48.297166 48.297166 48.297166 112658.75 -986867.56 -888932.69 186700 4576.3313 4576.3313 -1384.0428 -1384.0428 48.297927 48.297927 48.297927 112664.08 -986806.73 -888317.45 186800 4581.7998 4581.7998 -1987.2854 -1987.2854 48.298526 48.298526 48.298526 112668.27 -986829.49 -888222.52 186900 4531.3702 4531.3702 -1089.5427 -1089.5427 48.298841 48.298841 48.298841 112670.48 -986820.04 -889298.39 187000 4580.466 4580.466 -914.03957 -914.03957 48.298806 48.298806 48.298806 112670.23 -986822.26 -888243.99 187100 4603.6045 4603.6045 -1457.6942 -1457.6942 48.298716 48.298716 48.298716 112669.6 -986710.67 -887634.43 187200 4541.3276 4541.3276 -1690.2043 -1690.2043 48.298209 48.298209 48.298209 112666.05 -986903.51 -889167.56 187300 4608.5191 4608.5191 -1862.572 -1862.572 48.297843 48.297843 48.297843 112663.49 -986862.89 -887680.89 187400 4503.6576 4503.6576 -1768.7585 -1768.7585 48.297373 48.297373 48.297373 112660.2 -986911.63 -889986.4 187500 4585.9471 4585.9471 -1210.0016 -1210.0016 48.297367 48.297367 48.297367 112660.16 -986697.73 -888001.5 187600 4524.2403 4524.2403 -1850.7677 -1850.7677 48.297383 48.297383 48.297383 112660.27 -986767.29 -889399.09 187700 4595.2964 4595.2964 -648.54473 -648.54473 48.297087 48.297087 48.297087 112658.2 -986966.5 -888069.07 187800 4555.1714 4555.1714 -1566.6613 -1566.6613 48.297295 48.297295 48.297295 112659.66 -987065.13 -889031.24 187900 4544.4158 4544.4158 -1610.2779 -1610.2779 48.297508 48.297508 48.297508 112661.15 -986935.6 -889133.19 188000 4588.603 4588.603 -1224.2583 -1224.2583 48.298195 48.298195 48.298195 112665.96 -986817.64 -888064.26 188100 4472.6691 4472.6691 -2273.9051 -2273.9051 48.298911 48.298911 48.298911 112670.96 -986890.59 -890632.28 188200 4566.0748 4566.0748 -286.69355 -286.69355 48.299234 48.299234 48.299234 112673.23 -986965.81 -888697.26 188300 4580.452 4580.452 -2238.3655 -2238.3655 48.299379 48.299379 48.299379 112674.24 -986897.73 -888319.76 188400 4579.8392 4579.8392 -1543.8371 -1543.8371 48.299392 48.299392 48.299392 112674.33 -986865.42 -888300.65 188500 4542.9276 4542.9276 -1569.4178 -1569.4178 48.299436 48.299436 48.299436 112674.64 -986834.67 -889064.29 188600 4595.1602 4595.1602 -540.90582 -540.90582 48.299549 48.299549 48.299549 112675.43 -986749.38 -887854.87 188700 4501.4857 4501.4857 -2520.4187 -2520.4187 48.299414 48.299414 48.299414 112674.48 -986792.93 -889914.44 188800 4548.2461 4548.2461 -1234.0958 -1234.0958 48.298765 48.298765 48.298765 112669.94 -986835.8 -888950.95 188900 4481.9007 4481.9007 -1583.1929 -1583.1929 48.29874 48.29874 48.29874 112669.77 -986818.76 -890361.77 189000 4472.2933 4472.2933 -2043.3042 -2043.3042 48.299018 48.299018 48.299018 112671.72 -986792.22 -890541.99 189100 4595.2118 4595.2118 -316.15449 -316.15449 48.299065 48.299065 48.299065 112672.04 -986672.51 -887776.9 189200 4452.3517 4452.3517 -2760.927 -2760.927 48.299245 48.299245 48.299245 112673.3 -986832.45 -891011.4 189300 4497.8955 4497.8955 -1004.0005 -1004.0005 48.300038 48.300038 48.300038 112678.85 -986737.75 -889936.53 189400 4550.0144 4550.0144 -662.03929 -662.03929 48.300414 48.300414 48.300414 112681.49 -986723.44 -888800.54 189500 4555.9113 4555.9113 -1455.7082 -1455.7082 48.30042 48.30042 48.30042 112681.53 -986810.16 -888760.35 189600 4546.6997 4546.6997 -1127.1145 -1127.1145 48.300576 48.300576 48.300576 112682.62 -986885.65 -889034.08 189700 4587.3903 4587.3903 -408.64238 -408.64238 48.300379 48.300379 48.300379 112681.24 -986688.72 -887961.44 189800 4511.1339 4511.1339 -765.9489 -765.9489 48.30022 48.30022 48.30022 112680.13 -986752.71 -889666.57 189900 4534.8051 4534.8051 -775.53503 -775.53503 48.299484 48.299484 48.299484 112674.98 -986727.53 -889131.96 190000 4521.9521 4521.9521 -648.87186 -648.87186 48.298833 48.298833 48.298833 112670.42 -986630.43 -889311.47 190100 4529.3109 4529.3109 -1448.9469 -1448.9469 48.298904 48.298904 48.298904 112670.92 -986774.2 -889296.87 190200 4569.6173 4569.6173 -2332.545 -2332.545 48.299106 48.299106 48.299106 112672.33 -986978.49 -888633.71 190300 4505.0088 4505.0088 -2134.3851 -2134.3851 48.299029 48.299029 48.299029 112671.79 -986764.56 -889810.24 190400 4567.4534 4567.4534 -1428.0443 -1428.0443 48.299169 48.299169 48.299169 112672.77 -986840.85 -888542.64 190500 4529.8515 4529.8515 -1577.7164 -1577.7164 48.299439 48.299439 48.299439 112674.66 -986652.22 -889163.25 190600 4558.8066 4558.8066 -1759.3641 -1759.3641 48.299458 48.299458 48.299458 112674.8 -986690.59 -888578.47 190700 4516.5249 4516.5249 -2503.2319 -2503.2319 48.299525 48.299525 48.299525 112675.26 -986842.63 -889640.47 190800 4585.6736 4585.6736 -793.85305 -793.85305 48.299494 48.299494 48.299494 112675.04 -986711.2 -888020.86 190900 4515.0769 4515.0769 -242.12462 -242.12462 48.298998 48.298998 48.298998 112671.57 -986839.03 -889668.04 191000 4503.1105 4503.1105 -1333.2963 -1333.2963 48.298725 48.298725 48.298725 112669.66 -986766.2 -889852.74 191100 4544.2713 4544.2713 -1511.5857 -1511.5857 48.29868 48.29868 48.29868 112669.35 -986754.25 -888954.95 191200 4618.2432 4618.2432 -660.89808 -660.89808 48.298803 48.298803 48.298803 112670.21 -986876.19 -887484.91 191300 4534.0961 4534.0961 -1216.0771 -1216.0771 48.298724 48.298724 48.298724 112669.66 -986848.53 -889268.21 191400 4559.8252 4559.8252 -1432.1187 -1432.1187 48.299096 48.299096 48.299096 112672.26 -986925.7 -888791.66 191500 4616.1147 4616.1147 -1229.5407 -1229.5407 48.299418 48.299418 48.299418 112674.51 -986673.88 -887328.4 191600 4503.2923 4503.2923 -2279.826 -2279.826 48.299641 48.299641 48.299641 112676.08 -986886.25 -889968.87 191700 4524.3405 4524.3405 -1345.2556 -1345.2556 48.300296 48.300296 48.300296 112680.66 -986806.26 -889435.9 191800 4574.0401 4574.0401 -50.847702 -50.847702 48.300776 48.300776 48.300776 112684.02 -986778.02 -888338.06 191900 4499.8862 4499.8862 -2165.1555 -2165.1555 48.301416 48.301416 48.301416 112688.5 -986616.93 -889772.86 192000 4624.299 4624.299 -1521.7582 -1521.7582 48.301666 48.301666 48.301666 112690.25 -986824 -887302.39 192100 4544.3152 4544.3152 -1252.2801 -1252.2801 48.301601 48.301601 48.301601 112689.79 -986874.38 -889074.14 192200 4586.4512 4586.4512 -1431.2188 -1431.2188 48.301553 48.301553 48.301553 112689.45 -986842.01 -888134.94 192300 4550.8707 4550.8707 -2092.0411 -2092.0411 48.301306 48.301306 48.301306 112687.73 -986840.49 -888899.16 192400 4569.8025 4569.8025 -2081.339 -2081.339 48.300638 48.300638 48.300638 112683.05 -986822.23 -888473.47 192500 4625.0389 4625.0389 -814.01888 -814.01888 48.299916 48.299916 48.299916 112678 -986738.45 -887200.91 192600 4596.6159 4596.6159 -534.27615 -534.27615 48.299169 48.299169 48.299169 112672.77 -986860.62 -887934.78 192700 4497.4946 4497.4946 -1903.5533 -1903.5533 48.299088 48.299088 48.299088 112672.21 -986956.28 -890163.68 192800 4453.273 4453.273 -2325.6359 -2325.6359 48.299134 48.299134 48.299134 112672.52 -986805.92 -890965.03 192900 4565.363 4565.363 -1724.8374 -1724.8374 48.299849 48.299849 48.299849 112677.53 -986794.38 -888541.16 193000 4530.6266 4530.6266 -1380.0032 -1380.0032 48.300895 48.300895 48.300895 112684.85 -986780.8 -889275.16 193100 4553.5161 4553.5161 -436.31177 -436.31177 48.301887 48.301887 48.301887 112691.79 -986811.55 -888813.29 193200 4519.8672 4519.8672 -1420.1686 -1420.1686 48.302855 48.302855 48.302855 112698.57 -986819.92 -889545.83 193300 4531.5745 4531.5745 -2240.6785 -2240.6785 48.303027 48.303027 48.303027 112699.77 -986966.96 -889440.92 193400 4577.9573 4577.9573 -1718.9523 -1718.9523 48.30227 48.30227 48.30227 112694.47 -986821.06 -888296.78 193500 4481.2333 4481.2333 -2138.9936 -2138.9936 48.301803 48.301803 48.301803 112691.2 -986775.5 -890332.86 193600 4578.2107 4578.2107 -1128.1796 -1128.1796 48.301119 48.301119 48.301119 112686.42 -986827.64 -888297.91 193700 4497.6659 4497.6659 -1591.9991 -1591.9991 48.301218 48.301218 48.301218 112687.11 -986775.2 -889978.91 193800 4540.9687 4540.9687 -1384.1387 -1384.1387 48.301249 48.301249 48.301249 112687.33 -986806.53 -889078.31 193900 4555.8584 4555.8584 -2172.5803 -2172.5803 48.301857 48.301857 48.301857 112691.59 -986939.26 -888890.59 194000 4513.1863 4513.1863 -2329.6675 -2329.6675 48.302181 48.302181 48.302181 112693.85 -986857.4 -889727.09 194100 4543.8691 4543.8691 -1557.8138 -1557.8138 48.302523 48.302523 48.302523 112696.25 -986716.39 -888925.75 194200 4551.3687 4551.3687 -2026.5664 -2026.5664 48.302207 48.302207 48.302207 112694.03 -986735.35 -888783.31 194300 4587.1822 4587.1822 -939.53823 -939.53823 48.301801 48.301801 48.301801 112691.19 -986744.08 -888021.28 194400 4496.854 4496.854 -857.71459 -857.71459 48.301273 48.301273 48.301273 112687.5 -986744.11 -889965.3 194500 4582.3019 4582.3019 -879.32481 -879.32481 48.30148 48.30148 48.30148 112688.95 -986657.26 -888039.49 194600 4566.2181 4566.2181 -79.890515 -79.890515 48.301734 48.301734 48.301734 112690.72 -986927.86 -888656.23 194700 4520.059 4520.059 -2243.5468 -2243.5468 48.302206 48.302206 48.302206 112694.02 -986760.04 -889481.82 194800 4561.5977 4561.5977 131.74811 131.74811 48.302364 48.302364 48.302364 112695.13 -986711.04 -888538.85 194900 4503.74 4503.74 -1714.0245 -1714.0245 48.302606 48.302606 48.302606 112696.83 -986773.91 -889846.9 195000 4554.6227 4554.6227 -2323.2646 -2323.2646 48.302773 48.302773 48.302773 112697.99 -986810.56 -888788.48 195100 4600.5944 4600.5944 128.07352 128.07352 48.302117 48.302117 48.302117 112693.41 -986863.04 -887851.59 195200 4496.9533 4496.9533 -2281.9777 -2281.9777 48.301524 48.301524 48.301524 112689.25 -986836.45 -890055.5 195300 4519.2387 4519.2387 -2572.6883 -2572.6883 48.300779 48.300779 48.300779 112684.04 -986738.41 -889477.85 195400 4548.7176 4548.7176 -1410.4746 -1410.4746 48.30017 48.30017 48.30017 112679.77 -986890.78 -888995.79 195500 4548.2711 4548.2711 -2320.7106 -2320.7106 48.29982 48.29982 48.29982 112677.32 -986805.45 -888920.07 195600 4559.517 4559.517 -1196.7086 -1196.7086 48.300154 48.300154 48.300154 112679.66 -986701.14 -888573.73 195700 4549.0597 4549.0597 -475.81966 -475.81966 48.301115 48.301115 48.301115 112686.39 -986860.25 -888957.9 195800 4586.531 4586.531 -1874.7794 -1874.7794 48.302268 48.302268 48.302268 112694.46 -986893.1 -888184.31 195900 4555.0562 4555.0562 -2570.7054 -2570.7054 48.303209 48.303209 48.303209 112701.04 -986786.73 -888755.32 196000 4479.9065 4479.9065 -205.09553 -205.09553 48.303373 48.303373 48.303373 112702.2 -986765.04 -890350.96 196100 4512.3922 4512.3922 -2621.7789 -2621.7789 48.303197 48.303197 48.303197 112700.97 -986549.97 -889436.75 196200 4563.9376 4563.9376 -1131.7398 -1131.7398 48.30255 48.30255 48.30255 112696.43 -986774.69 -888552.14 196300 4550.7927 4550.7927 -1255.7584 -1255.7584 48.301855 48.301855 48.301855 112691.57 -986907.34 -888967.69 196400 4546.898 4546.898 -519.86565 -519.86565 48.301474 48.301474 48.301474 112688.91 -986880.85 -889025.02 196500 4500.3643 4500.3643 -2070.4883 -2070.4883 48.301482 48.301482 48.301482 112688.96 -986594.93 -889740.57 196600 4557.3216 4557.3216 -1386.4032 -1386.4032 48.301723 48.301723 48.301723 112690.65 -986649.13 -888568.97 196700 4586.6104 4586.6104 234.88878 234.88878 48.30188 48.30188 48.30188 112691.74 -986865.45 -888154.95 196800 4594.9624 4594.9624 233.00874 233.00874 48.301876 48.301876 48.301876 112691.72 -986765.74 -887875.49 196900 4498.9968 4498.9968 -991.5419 -991.5419 48.302885 48.302885 48.302885 112698.78 -986714.06 -889889.13 197000 4552.2149 4552.2149 -1272.7713 -1272.7713 48.303874 48.303874 48.303874 112705.7 -986707.66 -888737.4 197100 4472.686 4472.686 -1592.9858 -1592.9858 48.304251 48.304251 48.304251 112708.34 -986936.45 -890677.76 197200 4529.8775 4529.8775 -2743.4002 -2743.4002 48.303921 48.303921 48.303921 112706.03 -986838.52 -889349 197300 4579.8444 4579.8444 -2937.6492 -2937.6492 48.303568 48.303568 48.303568 112703.56 -986730.6 -888165.72 197400 4643.5866 4643.5866 -879.47308 -879.47308 48.30316 48.30316 48.30316 112700.71 -986822.59 -886885.88 197500 4578.7413 4578.7413 -1292.3518 -1292.3518 48.302635 48.302635 48.302635 112697.03 -986891.94 -888350.79 197600 4570.7175 4570.7175 -944.60566 -944.60566 48.302568 48.302568 48.302568 112696.56 -986785.66 -888417.2 197700 4564.0797 4564.0797 -2503.3944 -2503.3944 48.302819 48.302819 48.302819 112698.32 -986771.3 -888545.69 197800 4542.4544 4542.4544 -1750.3689 -1750.3689 48.303175 48.303175 48.303175 112700.81 -986858.09 -889097.89 197900 4572.8458 4572.8458 -534.28712 -534.28712 48.303508 48.303508 48.303508 112703.14 -986856.19 -888441.92 198000 4575.4771 4575.4771 -2098.3308 -2098.3308 48.303705 48.303705 48.303705 112704.52 -986774.1 -888303.2 198100 4624.5807 4624.5807 -397.61123 -397.61123 48.303547 48.303547 48.303547 112703.41 -986795.78 -887268.11 198200 4589.3186 4589.3186 -128.29397 -128.29397 48.303444 48.303444 48.303444 112702.69 -986812.72 -888043.94 198300 4577.8805 4577.8805 -657.19116 -657.19116 48.303859 48.303859 48.303859 112705.6 -986759.67 -888237.05 198400 4552.2541 4552.2541 -1096.5151 -1096.5151 48.304175 48.304175 48.304175 112707.81 -986820.01 -888848.91 198500 4559.2774 4559.2774 -630.1694 -630.1694 48.304115 48.304115 48.304115 112707.39 -986926.55 -888804.29 198600 4477.4705 4477.4705 -3187.1378 -3187.1378 48.304508 48.304508 48.304508 112710.14 -986741.39 -890379.74 198700 4574.7033 4574.7033 -1052.0883 -1052.0883 48.304683 48.304683 48.304683 112711.36 -986727.36 -888273.11 198800 4561.0189 4561.0189 -1962.2105 -1962.2105 48.304669 48.304669 48.304669 112711.27 -986685.09 -888525.36 198900 4555.8657 4555.8657 -767.20364 -767.20364 48.304659 48.304659 48.304659 112711.2 -986807.12 -888758.29 199000 4569.7998 4569.7998 -1281.7588 -1281.7588 48.304731 48.304731 48.304731 112711.7 -986880.11 -888531.4 199100 4535.1731 4535.1731 -1577.6399 -1577.6399 48.304626 48.304626 48.304626 112710.96 -986818.41 -889214.92 199200 4534.1803 4534.1803 -1540.0248 -1540.0248 48.304079 48.304079 48.304079 112707.14 -986837.11 -889254.98 199300 4527.1243 4527.1243 -902.05027 -902.05027 48.303816 48.303816 48.303816 112705.29 -986795.69 -889365.42 199400 4539.2473 4539.2473 -2119.4843 -2119.4843 48.303779 48.303779 48.303779 112705.03 -986813.53 -889122.35 199500 4454.6286 4454.6286 -3183.8989 -3183.8989 48.303807 48.303807 48.303807 112705.23 -986877.93 -891007.87 199600 4522.6939 4522.6939 -2787.2824 -2787.2824 48.304144 48.304144 48.304144 112707.59 -986863.17 -889528.24 199700 4542.1763 4542.1763 -1983.4968 -1983.4968 48.304047 48.304047 48.304047 112706.91 -986751.21 -888997 199800 4559.5207 4559.5207 68.1399 68.1399 48.303893 48.303893 48.303893 112705.84 -986740.59 -888613.1 199900 4536.4673 4536.4673 -2397.0641 -2397.0641 48.304217 48.304217 48.304217 112708.11 -986791.79 -889160.44 200000 4543.5821 4543.5821 -3433.3835 -3433.3835 48.304385 48.304385 48.304385 112709.28 -986677.49 -888893.02 Loop time of 1316.78 on 24 procs for 20000 steps with 7221 atoms Performance: 0.656 ns/day, 36.577 hours/ns, 15.189 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 708.19 | 754.15 | 782.5 | 67.0 | 57.27 Bond | 0.0047159 | 0.0068771 | 0.0098841 | 1.4 | 0.00 Neigh | 0.022248 | 0.022968 | 0.024682 | 0.3 | 0.00 Comm | 10.561 | 37.264 | 82.939 | 294.2 | 2.83 Output | 0.049369 | 0.050916 | 0.083374 | 3.0 | 0.00 Modify | 522.46 | 524.63 | 528.15 | 9.2 | 39.84 Other | | 0.6603 | | | 0.05 Nlocal: 300.875 ave 318 max 282 min Histogram: 1 0 3 4 5 4 1 0 3 3 Nghost: 4162.71 ave 4203 max 4114 min Histogram: 2 0 1 4 2 4 5 3 1 2 Neighs: 114905 ave 121706 max 108912 min Histogram: 2 2 4 3 5 1 1 1 2 3 Total # of neighbors = 2757725 Ave neighs/atom = 381.903 Ave special neighs/atom = 0 Neighbor list builds = 1 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 200000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.5 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 200000 4543.5821 4543.5821 -3433.5684 -3433.5684 48.304385 48.304385 48.304385 112709.28 -986677.49 -888893.02 200100 4487.0617 4487.0617 -2154.3403 -2154.3403 48.30994 48.30994 48.30994 112748.17 -985487.65 -888919.59 200200 4544.0172 4544.0172 -1568.1072 -1568.1072 48.317868 48.317868 48.317868 112803.69 -986353.84 -888560 200300 4554.3733 4554.3733 -3217.7272 -3217.7272 48.322387 48.322387 48.322387 112835.34 -986536.72 -888520.01 200400 4540.0757 4540.0757 -3520.9365 -3520.9365 48.322799 48.322799 48.322799 112838.22 -986552.28 -888843.27 200500 4533.225 4533.225 -3325.8422 -3325.8422 48.320359 48.320359 48.320359 112821.13 -986479.96 -888918.4 200600 4538.01 4538.01 -3048.2088 -3048.2088 48.317388 48.317388 48.317388 112800.32 -986674.36 -889009.81 200700 4540.4004 4540.4004 -2242.1434 -2242.1434 48.314947 48.314947 48.314947 112783.23 -986678.86 -888962.86 200800 4518.035 4518.035 -1956.6948 -1956.6948 48.313817 48.313817 48.313817 112775.32 -986571.64 -889336.98 200900 4558.3127 4558.3127 -2033.084 -2033.084 48.314443 48.314443 48.314443 112779.7 -986642.12 -888540.63 201000 4493.9744 4493.9744 -2713.409 -2713.409 48.31557 48.31557 48.31557 112787.59 -986610.96 -889894.12 201100 4603.4979 4603.4979 -1287.5197 -1287.5197 48.317506 48.317506 48.317506 112801.15 -986644.96 -887571.01 201200 4554.8993 4554.8993 -1824.2012 -1824.2012 48.319406 48.319406 48.319406 112814.46 -986542.72 -888514.69 201300 4484.4008 4484.4008 -2523.3977 -2523.3977 48.321217 48.321217 48.321217 112827.14 -986778.39 -890267.59 201400 4564.7566 4564.7566 -3121.7113 -3121.7113 48.322219 48.322219 48.322219 112834.16 -986642.19 -888402.01 201500 4559.9502 4559.9502 -1918.2983 -1918.2983 48.322378 48.322378 48.322378 112835.28 -986907.32 -888770.59 201600 4518.2875 4518.2875 -2039.9307 -2039.9307 48.321722 48.321722 48.321722 112830.68 -986656.03 -889415.94 201700 4578.242 4578.242 -2059.003 -2059.003 48.32126 48.32126 48.32126 112827.45 -986798.23 -888267.83 201800 4554.7668 4554.7668 -1163.2763 -1163.2763 48.321053 48.321053 48.321053 112825.99 -986764.52 -888739.34 201900 4512.5169 4512.5169 -3432.2834 -3432.2834 48.321858 48.321858 48.321858 112831.63 -986649.59 -889533.69 202000 4564.6124 4564.6124 -3206.907 -3206.907 48.322323 48.322323 48.322323 112834.89 -986755.02 -888517.95 202100 4559.7604 4559.7604 -3680.4222 -3680.4222 48.322803 48.322803 48.322803 112838.25 -986834.27 -888701.62 202200 4564.5498 4564.5498 -3090.9394 -3090.9394 48.323453 48.323453 48.323453 112842.81 -986659.9 -888424.17 202300 4542.7262 4542.7262 -1795.1359 -1795.1359 48.323603 48.323603 48.323603 112843.86 -986669.11 -888903.06 202400 4494.8109 4494.8109 -3911.068 -3911.068 48.324056 48.324056 48.324056 112847.03 -986837.34 -890102.5 202500 4460.1576 4460.1576 -4316.0387 -4316.0387 48.324193 48.324193 48.324193 112847.99 -986725.95 -890736.9 202600 4501.0999 4501.0999 -3523.6293 -3523.6293 48.324604 48.324604 48.324604 112850.87 -986635.96 -889765.77 202700 4535.2485 4535.2485 -4359.8792 -4359.8792 48.324583 48.324583 48.324583 112850.73 -986573.32 -888968.2 202800 4527.0029 4527.0029 -2020.6379 -2020.6379 48.324613 48.324613 48.324613 112850.94 -986560.93 -889133.27 202900 4550.1655 4550.1655 -1584.9675 -1584.9675 48.325168 48.325168 48.325168 112854.82 -986776.78 -888850.63 203000 4527.7125 4527.7125 -2313.4365 -2313.4365 48.324942 48.324942 48.324942 112853.24 -986739.12 -889296.19 203100 4557.353 4557.353 -3309.8499 -3309.8499 48.325112 48.325112 48.325112 112854.43 -986691.38 -888610.54 203200 4534.5744 4534.5744 -3176.1858 -3176.1858 48.325195 48.325195 48.325195 112855.01 -986731.26 -889140.65 203300 4563.0225 4563.0225 -537.55089 -537.55089 48.325085 48.325085 48.325085 112854.24 -986585.91 -888383.06 203400 4490.2638 4490.2638 -3327.6313 -3327.6313 48.325494 48.325494 48.325494 112857.11 -986718.65 -890081.67 203500 4544.1979 4544.1979 -2567.848 -2567.848 48.326193 48.326193 48.326193 112862 -986755.92 -888958.2 203600 4596.8182 4596.8182 -2271.928 -2271.928 48.326809 48.326809 48.326809 112866.32 -986654.3 -887724.12 203700 4581.5617 4581.5617 -1733.68 -1733.68 48.327258 48.327258 48.327258 112869.46 -986558.18 -887956.34 203800 4556.3202 4556.3202 -1223.6782 -1223.6782 48.327539 48.327539 48.327539 112871.43 -986747.83 -888689.22 203900 4585.5292 4585.5292 -2132.8788 -2132.8788 48.328037 48.328037 48.328037 112874.92 -986880.01 -888192.78 204000 4589.1055 4589.1055 -1023.5252 -1023.5252 48.32794 48.32794 48.32794 112874.25 -986771.63 -888007.43 204100 4547.8657 4547.8657 -2057.8506 -2057.8506 48.327724 48.327724 48.327724 112872.73 -986634.65 -888757.99 204200 4517.28 4517.28 -1862.1579 -1862.1579 48.327283 48.327283 48.327283 112869.64 -986658.56 -889440.15 204300 4514.5134 4514.5134 -2704.8071 -2704.8071 48.326641 48.326641 48.326641 112865.14 -986744.63 -889585.76 204400 4483.375 4483.375 -3610.6215 -3610.6215 48.326467 48.326467 48.326467 112863.92 -986756.9 -890268.17 204500 4498.1853 4498.1853 -3494.8101 -3494.8101 48.326338 48.326338 48.326338 112863.02 -986715.45 -889907.98 204600 4487.1352 4487.1352 -1268.9435 -1268.9435 48.326353 48.326353 48.326353 112863.12 -986703.15 -890133.5 204700 4546.5813 4546.5813 -2803.9228 -2803.9228 48.327389 48.327389 48.327389 112870.38 -986552.41 -888703.4 204800 4536.9858 4536.9858 -3194.9119 -3194.9119 48.328434 48.328434 48.328434 112877.7 -986799.07 -889156.56 204900 4572.4515 4572.4515 -3266.5361 -3266.5361 48.329215 48.329215 48.329215 112883.18 -986694.39 -888288.61 205000 4488.9437 4488.9437 -3531.275 -3531.275 48.329909 48.329909 48.329909 112888.04 -986737.87 -890129.3 205100 4552.733 4552.733 -3022.1709 -3022.1709 48.330103 48.330103 48.330103 112889.4 -986617.85 -888636.44 205200 4511.013 4511.013 -3520.314 -3520.314 48.329862 48.329862 48.329862 112887.71 -986689.76 -889606.23 205300 4613.5453 4613.5453 -2413.7044 -2413.7044 48.329468 48.329468 48.329468 112884.95 -986799.91 -887509.73 205400 4469.1861 4469.1861 -3124.2631 -3124.2631 48.329179 48.329179 48.329179 112882.93 -986778.93 -890595.57 205500 4499.9966 4499.9966 -1438.2818 -1438.2818 48.329198 48.329198 48.329198 112883.06 -986815.59 -889969.14 205600 4557.2248 4557.2248 -1544.0681 -1544.0681 48.329258 48.329258 48.329258 112883.48 -986579.95 -888501.87 205700 4511.9733 4511.9733 -2024.5494 -2024.5494 48.329136 48.329136 48.329136 112882.62 -986868.32 -889764.12 205800 4560.6811 4560.6811 -1456.5906 -1456.5906 48.328573 48.328573 48.328573 112878.68 -986638.77 -888486.31 205900 4530.0383 4530.0383 -3222.5566 -3222.5566 48.32851 48.32851 48.32851 112878.23 -986713.82 -889220.83 206000 4537.6225 4537.6225 -1416.1661 -1416.1661 48.328602 48.328602 48.328602 112878.88 -986650.51 -888994.3 206100 4559.4671 4559.4671 -905.42951 -905.42951 48.328966 48.328966 48.328966 112881.43 -986553.5 -888427.16 206200 4568.6917 4568.6917 -3030.3625 -3030.3625 48.329542 48.329542 48.329542 112885.47 -986635.34 -888310.48 206300 4558.303 4558.303 -2656.7209 -2656.7209 48.330304 48.330304 48.330304 112890.81 -986713.21 -888611.92 206400 4543.468 4543.468 -1706.6061 -1706.6061 48.330929 48.330929 48.330929 112895.19 -986553.89 -888771.88 206500 4533.7969 4533.7969 -2710.9405 -2710.9405 48.331031 48.331031 48.331031 112895.9 -986741.35 -889167.47 206600 4552.6109 4552.6109 -2133.1568 -2133.1568 48.330561 48.330561 48.330561 112892.61 -986624.92 -888646.13 206700 4500.0222 4500.0222 -4287.5395 -4287.5395 48.329984 48.329984 48.329984 112888.57 -986770.09 -889923.09 206800 4495.0806 4495.0806 -3259.2139 -3259.2139 48.329557 48.329557 48.329557 112885.57 -986756.31 -890015.66 206900 4585.657 4585.657 -1358.7326 -1358.7326 48.329553 48.329553 48.329553 112885.54 -986555.44 -887865.45 207000 4486.1222 4486.1222 -2552.6944 -2552.6944 48.329903 48.329903 48.329903 112888 -986697.34 -890149.49 207100 4495.3581 4495.3581 -1562.3169 -1562.3169 48.330327 48.330327 48.330327 112890.97 -986568.55 -889821.94 207200 4511.6612 4511.6612 -2738.6431 -2738.6431 48.330777 48.330777 48.330777 112894.12 -986687.33 -889589.84 207300 4498.1875 4498.1875 -4118.1714 -4118.1714 48.330892 48.330892 48.330892 112894.93 -986625.39 -889817.88 207400 4563.8033 4563.8033 -2875.3654 -2875.3654 48.330655 48.330655 48.330655 112893.27 -986790.5 -888570.85 207500 4579.4124 4579.4124 -3639.6662 -3639.6662 48.330335 48.330335 48.330335 112891.02 -986665.55 -888109.96 207600 4550.1045 4550.1045 -1771.072 -1771.072 48.32983 48.32983 48.32983 112887.48 -986635.52 -888710.68 207700 4603.4241 4603.4241 -1838.6415 -1838.6415 48.329749 48.329749 48.329749 112886.92 -986788.07 -887715.71 207800 4522.371 4522.371 -2167.3067 -2167.3067 48.330086 48.330086 48.330086 112889.28 -986558.2 -889230.23 207900 4537.5856 4537.5856 -3097.616 -3097.616 48.329861 48.329861 48.329861 112887.7 -986719.3 -889063.89 208000 4541.0261 4541.0261 -1798.9769 -1798.9769 48.329225 48.329225 48.329225 112883.25 -986790.98 -889061.52 208100 4610.2362 4610.2362 -2503.3119 -2503.3119 48.329485 48.329485 48.329485 112885.07 -986468 -887249.04 208200 4529.036 4529.036 -2310.3219 -2310.3219 48.329628 48.329628 48.329628 112886.07 -986600.57 -889129.16 208300 4548.4521 4548.4521 -1887.3267 -1887.3267 48.330342 48.330342 48.330342 112891.07 -986928.72 -889039.45 208400 4508.0155 4508.0155 -4269.1341 -4269.1341 48.331385 48.331385 48.331385 112898.38 -986646.5 -889627.48 208500 4590.2125 4590.2125 -2790.2575 -2790.2575 48.332311 48.332311 48.332311 112904.87 -986503.21 -887715.19 208600 4585.0571 4585.0571 -1953.4617 -1953.4617 48.332183 48.332183 48.332183 112903.98 -986657.6 -887980.53 208700 4482.1553 4482.1553 -2015.3697 -2015.3697 48.331704 48.331704 48.331704 112900.62 -986635.8 -890173.33 208800 4568.1681 4568.1681 -1740.8534 -1740.8534 48.33075 48.33075 48.33075 112893.94 -986606.59 -888292.99 208900 4503.2039 4503.2039 -2909.5316 -2909.5316 48.330002 48.330002 48.330002 112888.69 -986746.65 -889831.18 209000 4515.927 4515.927 -596.58162 -596.58162 48.329618 48.329618 48.329618 112886 -986663.61 -889474.32 209100 4507.6984 4507.6984 -2076.8996 -2076.8996 48.33036 48.33036 48.33036 112891.2 -986691.28 -889679.08 209200 4610.2791 4610.2791 -1638.0375 -1638.0375 48.331046 48.331046 48.331046 112896.01 -986557.95 -887338.07 209300 4490.0933 4490.0933 -2521.2696 -2521.2696 48.331528 48.331528 48.331528 112899.39 -986938.9 -890305.59 209400 4530.3085 4530.3085 -3012.4062 -3012.4062 48.331844 48.331844 48.331844 112901.6 -986470.86 -888972.06 209500 4527.8794 4527.8794 -3942.6295 -3942.6295 48.33189 48.33189 48.33189 112901.92 -986697.73 -889251.21 209600 4550.1449 4550.1449 -2689.9714 -2689.9714 48.3317 48.3317 48.3317 112900.59 -986590.41 -888664.7 209700 4580.1143 4580.1143 -1995.3593 -1995.3593 48.331768 48.331768 48.331768 112901.07 -986712.58 -888141.88 209800 4526.1235 4526.1235 -3382.984 -3382.984 48.331811 48.331811 48.331811 112901.37 -986628.34 -889219.61 209900 4561.1715 4561.1715 -1047.9814 -1047.9814 48.331624 48.331624 48.331624 112900.06 -986656.63 -888493.61 210000 4540.9937 4540.9937 -2755.1561 -2755.1561 48.331776 48.331776 48.331776 112901.12 -986596.36 -888867.6 210100 4560.0952 4560.0952 -2648.2132 -2648.2132 48.331114 48.331114 48.331114 112896.49 -986773.07 -888633.21 210200 4594.337 4594.337 -2006.6329 -2006.6329 48.331442 48.331442 48.331442 112898.78 -986768.82 -887892.04 210300 4570.0805 4570.0805 -1742.9957 -1742.9957 48.332114 48.332114 48.332114 112903.49 -986530.08 -888175.33 210400 4486.5275 4486.5275 -2669.0178 -2669.0178 48.332475 48.332475 48.332475 112906.02 -986709.83 -890153.26 210500 4605.473 4605.473 -2129.1368 -2129.1368 48.332245 48.332245 48.332245 112904.41 -986567.8 -887451.35 210600 4526.6137 4526.6137 -2657.3903 -2657.3903 48.332258 48.332258 48.332258 112904.5 -986677.47 -889258.18 210700 4553.573 4553.573 -2542.493 -2542.493 48.332209 48.332209 48.332209 112904.15 -986723.17 -888723.69 210800 4511.1144 4511.1144 -2907.9316 -2907.9316 48.332292 48.332292 48.332292 112904.74 -986649.24 -889563.53 210900 4523.706 4523.706 -1829.4067 -1829.4067 48.332356 48.332356 48.332356 112905.19 -986565.21 -889208.5 211000 4553.6877 4553.6877 -2040.1442 -2040.1442 48.332077 48.332077 48.332077 112903.24 -986684.92 -888682.97 211100 4506.6012 4506.6012 -1157.2782 -1157.2782 48.331901 48.331901 48.331901 112902 -986549.12 -889560.53 211200 4480.883 4480.883 -1961.8132 -1961.8132 48.33205 48.33205 48.33205 112903.04 -986702.7 -890267.61 211300 4533.1244 4533.1244 -1494.4218 -1494.4218 48.332639 48.332639 48.332639 112907.17 -986603.66 -889044.25 211400 4528.6073 4528.6073 -3023.503 -3023.503 48.333236 48.333236 48.333236 112911.35 -986900.54 -889438.36 211500 4575.3539 4575.3539 -2448.5541 -2448.5541 48.333224 48.333224 48.333224 112911.27 -986733.83 -888265.58 211600 4559.5513 4559.5513 -2133.2523 -2133.2523 48.333165 48.333165 48.333165 112910.86 -986749.62 -888621.47 211700 4498.9524 4498.9524 -2835.5737 -2835.5737 48.333379 48.333379 48.333379 112912.35 -986746.01 -889922.04 211800 4604.6302 4604.6302 -2581.7644 -2581.7644 48.333991 48.333991 48.333991 112916.65 -986702.99 -887604.68 211900 4536.1442 4536.1442 -2204.1479 -2204.1479 48.334356 48.334356 48.334356 112919.2 -986586.51 -888962.12 212000 4555.0388 4555.0388 -1952.8906 -1952.8906 48.334484 48.334484 48.334484 112920.1 -986676.84 -888645.8 212100 4575.1507 4575.1507 -1474.8627 -1474.8627 48.334482 48.334482 48.334482 112920.09 -986708.76 -888244.89 212200 4527.9809 4527.9809 -3199.4844 -3199.4844 48.334317 48.334317 48.334317 112918.93 -986686.54 -889237.83 212300 4544.9969 4544.9969 -2823.0094 -2823.0094 48.333526 48.333526 48.333526 112913.39 -986606 -888791.08 212400 4537.1829 4537.1829 -2507.5596 -2507.5596 48.332668 48.332668 48.332668 112907.38 -986776.9 -889130.15 212500 4564.2513 4564.2513 -2191.8046 -2191.8046 48.331856 48.331856 48.331856 112901.68 -986638.62 -888409.33 212600 4590.6016 4590.6016 -3301.0931 -3301.0931 48.331915 48.331915 48.331915 112902.1 -986648.82 -887852.42 212700 4554.8578 4554.8578 -1531.8527 -1531.8527 48.332007 48.332007 48.332007 112902.74 -986740.48 -888713.34 212800 4556.6974 4556.6974 -3821.8519 -3821.8519 48.333219 48.333219 48.333219 112911.23 -986833.21 -888766.49 212900 4578.3723 4578.3723 -2273.8473 -2273.8473 48.334421 48.334421 48.334421 112919.66 -986664.24 -888131.04 213000 4531.9052 4531.9052 -2455.9965 -2455.9965 48.335468 48.335468 48.335468 112927 -986638.35 -889105.18 213100 4565.4392 4565.4392 -2710.0601 -2710.0601 48.335669 48.335669 48.335669 112928.41 -986746.25 -888491.39 213200 4513.0911 4513.0911 -1564.6381 -1564.6381 48.334972 48.334972 48.334972 112923.52 -986649.43 -889521.17 213300 4514.5801 4514.5801 -2850.9299 -2850.9299 48.334372 48.334372 48.334372 112919.31 -986550.95 -889390.65 213400 4551.8252 4551.8252 -1231.2006 -1231.2006 48.333799 48.333799 48.333799 112915.3 -986810.62 -888848.75 213500 4498.183 4498.183 -3759.4559 -3759.4559 48.334309 48.334309 48.334309 112918.88 -986728.99 -889921.58 213600 4533.4884 4533.4884 -3287.0627 -3287.0627 48.334326 48.334326 48.334326 112918.99 -986576.92 -889009.68 213700 4539.2634 4539.2634 -2429.2762 -2429.2762 48.334264 48.334264 48.334264 112918.56 -986602.46 -888910.94 213800 4521.4563 4521.4563 -2977.5178 -2977.5178 48.334663 48.334663 48.334663 112921.36 -986650.22 -889341.93 213900 4608.8037 4608.8037 -1688.2745 -1688.2745 48.33506 48.33506 48.33506 112924.14 -986804.76 -887616.63 214000 4436.2571 4436.2571 -3048.1111 -3048.1111 48.335432 48.335432 48.335432 112926.74 -986673.08 -891198.4 214100 4543.0646 4543.0646 -1248.9253 -1248.9253 48.335459 48.335459 48.335459 112926.93 -986673.88 -888900.55 214200 4525.2433 4525.2433 -1904.8969 -1904.8969 48.335306 48.335306 48.335306 112925.86 -986682.06 -889292.26 214300 4513.3449 4513.3449 -3713.6266 -3713.6266 48.335424 48.335424 48.335424 112926.69 -986701.87 -889568.15 214400 4509.2808 4509.2808 24.881224 24.881224 48.335221 48.335221 48.335221 112925.27 -986690.19 -889643.94 214500 4592.3411 4592.3411 -2209.5519 -2209.5519 48.335581 48.335581 48.335581 112927.79 -986622.09 -887788.26 214600 4561.3145 4561.3145 -1637.8881 -1637.8881 48.335878 48.335878 48.335878 112929.87 -986593.74 -888427.64 214700 4529.1825 4529.1825 -2348.268 -2348.268 48.336025 48.336025 48.336025 112930.9 -986677.79 -889203.22 214800 4481.0049 4481.0049 -2730.908 -2730.908 48.335699 48.335699 48.335699 112928.62 -986633.13 -890195.41 214900 4523.8434 4523.8434 -2181.2732 -2181.2732 48.335172 48.335172 48.335172 112924.92 -986573.2 -889213.54 215000 4599.5633 4599.5633 -1379.7181 -1379.7181 48.334551 48.334551 48.334551 112920.57 -986668.94 -887679.67 215100 4541.2291 4541.2291 -2956.013 -2956.013 48.334272 48.334272 48.334272 112918.61 -986720.41 -888986.58 215200 4507.1172 4507.1172 -3811.7897 -3811.7897 48.333992 48.333992 48.333992 112916.65 -986643.86 -889644.17 215300 4548.1936 4548.1936 -2420.6583 -2420.6583 48.333934 48.333934 48.333934 112916.25 -986713.39 -888829.68 215400 4494.7314 4494.7314 -3504.2282 -3504.2282 48.334251 48.334251 48.334251 112918.47 -986592.11 -889858.98 215500 4500.5076 4500.5076 -2006.2809 -2006.2809 48.334117 48.334117 48.334117 112917.53 -986612.14 -889754.7 215600 4583.8502 4583.8502 -3499.7179 -3499.7179 48.333991 48.333991 48.333991 112916.65 -986763.59 -888112.49 215700 4559.0421 4559.0421 -1695.0606 -1695.0606 48.333975 48.333975 48.333975 112916.53 -986533.71 -888416.52 215800 4478.4907 4478.4907 -2732.5682 -2732.5682 48.334697 48.334697 48.334697 112921.59 -986625.64 -890242.04 215900 4501.2341 4501.2341 -4461.1379 -4461.1379 48.335668 48.335668 48.335668 112928.4 -986677.13 -889804.06 216000 4595.1803 4595.1803 -2656.6496 -2656.6496 48.335988 48.335988 48.335988 112930.64 -986663.35 -887768.41 216100 4600.0183 4600.0183 -2362.9155 -2362.9155 48.336318 48.336318 48.336318 112932.96 -986665.08 -887666.03 216200 4588.48 4588.48 -1654.106 -1654.106 48.336299 48.336299 48.336299 112932.82 -986642.13 -887891.4 216300 4463.414 4463.414 -3711.7354 -3711.7354 48.335889 48.335889 48.335889 112929.95 -986701.09 -890641.95 216400 4571.9807 4571.9807 -1813.9988 -1813.9988 48.335648 48.335648 48.335648 112928.26 -986718.14 -888322.5 216500 4446.3999 4446.3999 -3527.0769 -3527.0769 48.335757 48.335757 48.335757 112929.02 -986582.02 -890889.05 216600 4541.7306 4541.7306 -2108.5872 -2108.5872 48.335809 48.335809 48.335809 112929.39 -986481.99 -888737.36 216700 4555.7691 4555.7691 -2317.9448 -2317.9448 48.335497 48.335497 48.335497 112927.2 -986555.3 -888508.55 216800 4589.4764 4589.4764 -1996.6477 -1996.6477 48.335164 48.335164 48.335164 112924.87 -986734.94 -887962.76 216900 4508.8329 4508.8329 -2560.8111 -2560.8111 48.334852 48.334852 48.334852 112922.68 -986782.34 -889745.72 217000 4536.5003 4536.5003 -2608.0567 -2608.0567 48.335 48.335 48.335 112923.72 -986565.65 -888933.59 217100 4493.2273 4493.2273 -2440.7777 -2440.7777 48.335396 48.335396 48.335396 112926.49 -986671.79 -889971.03 217200 4537.6555 4537.6555 -2868.6228 -2868.6228 48.336 48.336 48.336 112930.73 -986333.95 -888677.03 217300 4563.8987 4563.8987 -2725.6408 -2725.6408 48.336355 48.336355 48.336355 112933.22 -986649.4 -888427.69 217400 4527.6959 4527.6959 -1409.5404 -1409.5404 48.33611 48.33611 48.33611 112931.5 -986640.39 -889197.82 217500 4470.3221 4470.3221 -3484.6867 -3484.6867 48.336171 48.336171 48.336171 112931.93 -986717.79 -890509.98 217600 4532.4602 4532.4602 -3352.8881 -3352.8881 48.336082 48.336082 48.336082 112931.3 -986776 -889230.89 217700 4543.0604 4543.0604 -3287.8725 -3287.8725 48.336174 48.336174 48.336174 112931.94 -986686.36 -888913.12 217800 4557.4612 4557.4612 -1355.4169 -1355.4169 48.336045 48.336045 48.336045 112931.04 -986779.41 -888696.24 217900 4506.6906 4506.6906 -2270.4486 -2270.4486 48.336039 48.336039 48.336039 112931 -986633.49 -889642.98 218000 4530.1022 4530.1022 -3725.0305 -3725.0305 48.335812 48.335812 48.335812 112929.41 -986608.56 -889114.2 218100 4521.3953 4521.3953 -1808.0067 -1808.0067 48.336107 48.336107 48.336107 112931.48 -986741.28 -889434.3 218200 4540.9818 4540.9818 -1809.2242 -1809.2242 48.336072 48.336072 48.336072 112931.23 -986623.5 -888895 218300 4496.3471 4496.3471 -2138.8194 -2138.8194 48.336127 48.336127 48.336127 112931.62 -986567.99 -889800.09 218400 4508.2964 4508.2964 -1988.4197 -1988.4197 48.336078 48.336078 48.336078 112931.27 -986579.21 -889554.14 218500 4521.0496 4521.0496 -3816.9081 -3816.9081 48.336088 48.336088 48.336088 112931.34 -986809.35 -889509.82 218600 4539.4384 4539.4384 -2892.8738 -2892.8738 48.336042 48.336042 48.336042 112931.02 -986790.06 -889094.77 218700 4589.4678 4589.4678 -2749.965 -2749.965 48.335799 48.335799 48.335799 112929.32 -986746.73 -887974.74 218800 4543.5365 4543.5365 -2648.4133 -2648.4133 48.336247 48.336247 48.336247 112932.46 -986477.37 -888693.88 218900 4531.6972 4531.6972 -2608.0911 -2608.0911 48.336907 48.336907 48.336907 112937.09 -986545.34 -889016.65 219000 4608.8633 4608.8633 -3310.3437 -3310.3437 48.33763 48.33763 48.33763 112942.15 -986588.21 -887398.79 219100 4525.042 4525.042 -3368.2732 -3368.2732 48.337687 48.337687 48.337687 112942.55 -986865.34 -889479.88 219200 4545.8502 4545.8502 -3726.4032 -3726.4032 48.337245 48.337245 48.337245 112939.45 -986622.33 -888789.05 219300 4612.3372 4612.3372 -2166.9936 -2166.9936 48.336587 48.336587 48.336587 112934.84 -986736.95 -887472.77 219400 4498.2094 4498.2094 -1310.2996 -1310.2996 48.336123 48.336123 48.336123 112931.59 -986702.8 -889894.81 219500 4529.2555 4529.2555 -2947.7077 -2947.7077 48.336163 48.336163 48.336163 112931.87 -986542.6 -889066.46 219600 4524.5939 4524.5939 -2312.1746 -2312.1746 48.336324 48.336324 48.336324 112933 -986768.85 -889393.04 219700 4503.84 4503.84 -1969.0738 -1969.0738 48.336124 48.336124 48.336124 112931.6 -986577.42 -889648.26 219800 4575.8807 4575.8807 -2508.5107 -2508.5107 48.335656 48.335656 48.335656 112928.32 -986716.61 -888237.03 219900 4594.1109 4594.1109 -2081.2107 -2081.2107 48.336002 48.336002 48.336002 112930.74 -986492.56 -887620.64 220000 4517.6805 4517.6805 -2989.8677 -2989.8677 48.336417 48.336417 48.336417 112933.65 -986672.21 -889445.18 Loop time of 1312.01 on 24 procs for 20000 steps with 7221 atoms Performance: 0.659 ns/day, 36.445 hours/ns, 15.244 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 706.34 | 752.64 | 779.99 | 67.4 | 57.37 Bond | 0.004725 | 0.0068693 | 0.0089214 | 1.4 | 0.00 Neigh | 0.02223 | 0.022873 | 0.023529 | 0.2 | 0.00 Comm | 10.814 | 36.652 | 82.315 | 297.0 | 2.79 Output | 0.047485 | 0.049061 | 0.081394 | 3.0 | 0.00 Modify | 519.79 | 521.97 | 524.94 | 8.4 | 39.78 Other | | 0.6629 | | | 0.05 Nlocal: 300.875 ave 316 max 284 min Histogram: 1 1 2 4 3 6 1 0 3 3 Nghost: 4154.04 ave 4198 max 4099 min Histogram: 2 0 2 3 0 4 6 4 1 2 Neighs: 114638 ave 121257 max 109322 min Histogram: 4 1 4 1 7 0 0 3 3 1 Total # of neighbors = 2751317 Ave neighs/atom = 381.016 Ave special neighs/atom = 0 Neighbor list builds = 1 Dangerous builds = 0 Warning: Either f_max is too high or the time step is too big, setting f_max to be 1/timestep! The effective maximum frequncy is now 1.000000 inverse time unit with alpha value as 1! Setting up Verlet run ... Unit style : real Current step : 220000 Time step : 0.5 Per MPI rank memory allocation (min/avg/max) = 175.5 | 176 | 176.4 Mbytes Step Temp v_tave Press v_pave Lx Ly Lz Volume E_pair TotEng 220000 4517.6805 4517.6805 -2989.6966 -2989.6966 48.336417 48.336417 48.336417 112933.65 -986672.2 -889445.18 220100 4568.3438 4568.3438 -2442.6137 -2442.6137 48.345641 48.345641 48.345641 112998.32 -985447.31 -887129.94 220200 4547.0002 4547.0002 -5602.457 -5602.457 48.361754 48.361754 48.361754 113111.34 -986179.36 -888321.33 220300 4552.0676 4552.0676 -5400.8847 -5400.8847 48.375146 48.375146 48.375146 113205.33 -986072.77 -888105.68 220400 4516.179 4516.179 -7598.979 -7598.979 48.382268 48.382268 48.382268 113255.33 -986232.88 -889038.16 220500 4584.465 4584.465 -6056.0793 -6056.0793 48.383577 48.383577 48.383577 113264.52 -986138.14 -887473.81 220600 4576.1854 4576.1854 -5943.35 -5943.35 48.381153 48.381153 48.381153 113247.51 -986337.27 -887851.13 220700 4507.291 4507.291 -5603.9231 -5603.9231 48.376673 48.376673 48.376673 113216.05 -986398.57 -889395.14 220800 4539.7248 4539.7248 -4405.9914 -4405.9914 48.372826 48.372826 48.372826 113189.04 -986400.58 -888699.13 220900 4518.6949 4518.6949 -4309.8221 -4309.8221 48.371013 48.371013 48.371013 113176.31 -986540.98 -889292.12 221000 4516.4706 4516.4706 -4961.0401 -4961.0401 48.371143 48.371143 48.371143 113177.23 -986553.45 -889352.46 221100 4501.1049 4501.1049 -5304.2181 -5304.2181 48.3729 48.3729 48.3729 113189.56 -986450.94 -889580.64 221200 4549.8836 4549.8836 -4597.9262 -4597.9262 48.375525 48.375525 48.375525 113207.99 -986532.05 -888611.97 221300 4520.574 4520.574 -3595.5081 -3595.5081 48.378693 48.378693 48.378693 113230.23 -986471.97 -889182.67 221400 4536.7146 4536.7146 -4833.8112 -4833.8112 48.381441 48.381441 48.381441 113249.53 -986485.88 -888849.21 221500 4512.1033 4512.1033 -6403.0579 -6403.0579 48.383045 48.383045 48.383045 113260.79 -986472.45 -889365.45 221600 4508.2537 4508.2537 -5526.0815 -5526.0815 48.38341 48.38341 48.38341 113263.36 -986461.35 -889437.2 221700 4569.9644 4569.9644 -5186.1047 -5186.1047 48.383094 48.383094 48.383094 113261.14 -986286.2 -887933.94 221800 4504.1574 4504.1574 -4300.8261 -4300.8261 48.382748 48.382748 48.382748 113258.7 -986435.44 -889499.44 221900 4567.0862 4567.0862 -3835.3018 -3835.3018 48.382493 48.382493 48.382493 113256.91 -986539.63 -888249.32 222000 4569.1205 4569.1205 -4182.5012 -4182.5012 48.382812 48.382812 48.382812 113259.16 -986611.03 -888276.93 222100 4517.4525 4517.4525 -5193.7587 -5193.7587 48.383486 48.383486 48.383486 113263.89 -986457.08 -889234.96 222200 4487.0109 4487.0109 -4977.6198 -4977.6198 48.38424 48.38424 48.38424 113269.18 -986370.29 -889803.31 222300 4481.0736 4481.0736 -6555.8775 -6555.8775 48.385088 48.385088 48.385088 113275.14 -986606.68 -890167.49 222400 4531.9163 4531.9163 -5007.6561 -5007.6561 48.385792 48.385792 48.385792 113280.08 -986584.83 -889051.43 222500 4516.9637 4516.9637 -5587.9319 -5587.9319 48.3868 48.3868 48.3868 113287.16 -986307.87 -889096.27 222600 4490.3794 4490.3794 -4963.7923 -4963.7923 48.387664 48.387664 48.387664 113293.24 -986591.72 -889952.25 222700 4537.0954 4537.0954 -3826.8942 -3826.8942 48.388425 48.388425 48.388425 113298.58 -986192.51 -888547.65 222800 4523.2795 4523.2795 -5184.3324 -5184.3324 48.389172 48.389172 48.389172 113303.82 -986356.34 -889008.81 222900 4502.7574 4502.7574 -4884.2163 -4884.2163 48.389488 48.389488 48.389488 113306.05 -986444.35 -889538.49 223000 4576.8799 4576.8799 -3626.7916 -3626.7916 48.389989 48.389989 48.389989 113309.57 -986429.31 -887928.23 223100 4548.0588 4548.0588 -5127.6573 -5127.6573 48.390782 48.390782 48.390782 113315.13 -986374.86 -888494.05 223200 4502.0288 4502.0288 -6747.0212 -6747.0212 48.391188 48.391188 48.391188 113317.99 -986363.97 -889473.79 223300 4490.5385 4490.5385 -5674.7045 -5674.7045 48.391014 48.391014 48.391014 113316.77 -986328.43 -889685.54 223400 4529.777 4529.777 -5259.1316 -5259.1316 48.390872 48.390872 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-986198.84 -887938.65 237100 4540.9537 4540.9537 -4735.3864 -4735.3864 48.415338 48.415338 48.415338 113487.73 -986188.25 -888460.35 237200 4503.6549 4503.6549 -5725.6061 -5725.6061 48.415803 48.415803 48.415803 113491 -986316.49 -889391.32 237300 4589.8181 4589.8181 -4168.1755 -4168.1755 48.416529 48.416529 48.416529 113496.1 -986423.23 -887643.69 237400 4572.2948 4572.2948 -5435.9116 -5435.9116 48.416992 48.416992 48.416992 113499.36 -986390.28 -887987.87 237500 4575.7903 4575.7903 -4954.5206 -4954.5206 48.416861 48.416861 48.416861 113498.44 -986141.65 -887664.01 237600 4554.6604 4554.6604 -6041.379 -6041.379 48.416402 48.416402 48.416402 113495.21 -986403.25 -888380.36 237700 4624.1172 4624.1172 -3907.0773 -3907.0773 48.415751 48.415751 48.415751 113490.64 -986274.46 -886756.76 237800 4537.6998 4537.6998 -5029.3823 -5029.3823 48.415694 48.415694 48.415694 113490.23 -986422.29 -888764.42 237900 4496.914 4496.914 -3846.7539 -3846.7539 48.415899 48.415899 48.415899 113491.68 -986268.69 -889488.59 238000 4535.2382 4535.2382 -4789.2102 -4789.2102 48.416292 48.416292 48.416292 113494.44 -986283.49 -888678.59 238100 4606.9036 4606.9036 -4117.997 -4117.997 48.417198 48.417198 48.417198 113500.81 -986355.59 -887208.35 238200 4533.4086 4533.4086 -4150.6828 -4150.6828 48.417668 48.417668 48.417668 113504.11 -986174.1 -888608.58 238300 4582.6757 4582.6757 -4975.6068 -4975.6068 48.41803 48.41803 48.41803 113506.66 -986471.56 -887845.74 238400 4516.997 4516.997 -4969.3331 -4969.3331 48.417966 48.417966 48.417966 113506.21 -986293.92 -889081.6 238500 4590.5776 4590.5776 -4796.1419 -4796.1419 48.417542 48.417542 48.417542 113503.22 -986380.59 -887584.71 238600 4513.9789 4513.9789 -5121.927 -5121.927 48.416994 48.416994 48.416994 113499.38 -986335.32 -889187.96 238700 4581.3806 4581.3806 -3411.2162 -3411.2162 48.416762 48.416762 48.416762 113497.74 -986253.82 -887655.88 238800 4535.026 4535.026 -6505.915 -6505.915 48.417629 48.417629 48.417629 113503.84 -986270.6 -888670.27 238900 4517.4441 4517.4441 -5346.3917 -5346.3917 48.417807 48.417807 48.417807 113505.09 -986265.45 -889043.51 239000 4569.1599 4569.1599 -4790.3045 -4790.3045 48.417843 48.417843 48.417843 113505.34 -986299.76 -887964.82 239100 4489.6085 4489.6085 -6510.139 -6510.139 48.418502 48.418502 48.418502 113509.98 -986235.99 -889613.11 239200 4465.3446 4465.3446 -5514.4499 -5514.4499 48.418569 48.418569 48.418569 113510.45 -986295.87 -890195.19 239300 4532.8765 4532.8765 -5560.467 -5560.467 48.418608 48.418608 48.418608 113510.73 -986348.28 -888794.21 239400 4584.4161 4584.4161 -3802.0932 -3802.0932 48.418563 48.418563 48.418563 113510.41 -986329.69 -887666.41 239500 4610.1807 4610.1807 -4306.6362 -4306.6362 48.418776 48.418776 48.418776 113511.91 -986278.55 -887060.79 239600 4568.3487 4568.3487 -3089.364 -3089.364 48.418823 48.418823 48.418823 113512.24 -986271.81 -887954.33 239700 4548.639 4548.639 -3867.4454 -3867.4454 48.418501 48.418501 48.418501 113509.97 -986381.55 -888488.25 239800 4493.2187 4493.2187 -5202.9136 -5202.9136 48.418585 48.418585 48.418585 113510.57 -986369.39 -889668.82 239900 4523.1619 4523.1619 -4768.2797 -4768.2797 48.418677 48.418677 48.418677 113511.21 -986271.08 -888926.09 240000 4506.9804 4506.9804 -6479.1073 -6479.1073 48.418674 48.418674 48.418674 113511.19 -986273.88 -889277.13 Loop time of 1305.45 on 24 procs for 20000 steps with 7221 atoms Performance: 0.662 ns/day, 36.263 hours/ns, 15.320 timesteps/s 99.7% CPU use with 24 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 702.25 | 748.87 | 778.01 | 66.7 | 57.37 Bond | 0.0045707 | 0.0068752 | 0.0094733 | 1.5 | 0.00 Neigh | 0.022173 | 0.022851 | 0.023491 | 0.2 | 0.00 Comm | 10.1 | 37.289 | 84.24 | 295.6 | 2.86 Output | 0.048268 | 0.049803 | 0.082119 | 3.0 | 0.00 Modify | 515.98 | 518.56 | 523.49 | 12.4 | 39.72 Other | | 0.6534 | | | 0.05 Nlocal: 300.875 ave 319 max 282 min Histogram: 1 2 3 2 4 5 1 1 3 2 Nghost: 4145.79 ave 4184 max 4084 min Histogram: 1 1 1 3 1 3 3 1 7 3 Neighs: 114219 ave 121826 max 108017 min Histogram: 4 0 4 2 7 0 1 2 3 1 Total # of neighbors = 2741263 Ave neighs/atom = 379.624 Ave special neighs/atom = 0 Neighbor list builds = 1 Dangerous builds = 0 using 1 OpenMP thread(s) per MPI task Please see the log.cite file for references relevant to this simulation Total wall time: 4:25:20