LAMMPS (17 Jun 2012) read_restart Si_500K.STA.76000000 orthogonal box = (0 0 0) to (32.58 32.58 32.58) 4 by 4 by 4 MPI processor grid 1728 atoms variable T equal 500 variable V equal vol variable dt equal 0.001 variable p equal 100 # correlation length variable s equal 50 # sample interval variable d equal $p*$s # dump interval variable d equal 100*$s variable d equal 100*50 #convert from LAMMPS real units to SI variable kB equal 1.3806504e-23 # [J/K] Boltzmann variable eV2J equal 1.6e-19 variable A2m equal 1.0e-10 variable ps2s equal 1.0e-12 variable convert equal ${eV2J}*${eV2J}/${ps2s}/${A2m} variable convert equal 1.5999999999999999122e-19*${eV2J}/${ps2s}/${A2m} variable convert equal 1.5999999999999999122e-19*1.5999999999999999122e-19/${ps2s}/${A2m} variable convert equal 1.5999999999999999122e-19*1.5999999999999999122e-19/9.9999999999999997989e-13/${A2m} variable convert equal 1.5999999999999999122e-19*1.5999999999999999122e-19/9.9999999999999997989e-13/1.0000000000000000364e-10 # setup problem lattice diamond 5.43 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1 Lattice spacing in x,y,z = 5.43 5.43 5.43 region box block 0 6 0 6 0 6 mass 1 28.0855 pair_style sw pair_coeff * * Si.sw Si timestep ${dt} timestep 0.0010000000000000000208 thermo $d thermo 5000 # equilibration and thermalization compute perpe all pe/atom compute perke all ke/atom # fix nvt1 all nvt temp 500 500 0.01 run 10000 Memory usage per processor = 1.61805 Mbytes Step Temp E_pair E_mol TotEng Press 76000000 498.30918 -7376.4739 0 -7265.2352 6308.6843 76005000 483.88478 -7379.4952 0 -7271.4765 6174.7692 76010000 499.72285 -7380.3623 0 -7268.8081 6345.9553 Loop time of 3.23401 on 64 procs for 10000 steps with 1728 atoms Pair time (%) = 0.905091 (27.9866) Neigh time (%) = 0 (0) Comm time (%) = 1.04902 (32.4372) Outpt time (%) = 0.000159457 (0.00493063) Other time (%) = 1.27974 (39.5713) Nlocal: 27 ave 31 max 21 min Histogram: 1 0 3 5 5 14 7 14 5 10 Nghost: 400.5 ave 406 max 396 min Histogram: 1 3 8 8 13 13 7 5 4 2 Neighs: 0 ave 0 max 0 min Histogram: 64 0 0 0 0 0 0 0 0 0 FullNghs: 945.25 ave 1104 max 738 min Histogram: 1 2 6 4 15 6 14 6 7 3 Total # of neighbors = 60496 Ave neighs/atom = 35.0093 Neighbor list builds = 0 Dangerous builds = 0 unfix nvt1 fix NVE all nve reset_timestep 0 compute myKE all ke/atom compute myPE all pe/atom compute myStress all stress/atom virial compute flux all heat/flux myKE myPE myStress variable Jx equal c_flux[1]/vol variable Jy equal c_flux[2]/vol variable Jz equal c_flux[3]/vol fix JJ all ave/correlate $s $p $d c_flux[1] c_flux[2] c_flux[3] type auto file J0Jt.dat ave running fix JJ all ave/correlate 50 $p $d c_flux[1] c_flux[2] c_flux[3] type auto file J0Jt.dat ave running fix JJ all ave/correlate 50 100 $d c_flux[1] c_flux[2] c_flux[3] type auto file J0Jt.dat ave running fix JJ all ave/correlate 50 100 5000 c_flux[1] c_flux[2] c_flux[3] type auto file J0Jt.dat ave running variable scale equal ${convert}/${kB}/$T/$T/$V*$s*${dt} variable scale equal 2.5599999999999996901e-16/${kB}/$T/$T/$V*$s*${dt} variable scale equal 2.5599999999999996901e-16/1.3806504000000001236e-23/$T/$T/$V*$s*${dt} variable scale equal 2.5599999999999996901e-16/1.3806504000000001236e-23/500/$T/$V*$s*${dt} variable scale equal 2.5599999999999996901e-16/1.3806504000000001236e-23/500/500/$V*$s*${dt} variable scale equal 2.5599999999999996901e-16/1.3806504000000001236e-23/500/500/34582.249511999994866*$s*${dt} variable scale equal 2.5599999999999996901e-16/1.3806504000000001236e-23/500/500/34582.249511999994866*50*${dt} variable scale equal 2.5599999999999996901e-16/1.3806504000000001236e-23/500/500/34582.249511999994866*50*0.0010000000000000000208 variable k11 equal trap(f_JJ[3])*${scale} variable k11 equal trap(f_JJ[3])*0.00010723412144001982088 variable k22 equal trap(f_JJ[4])*${scale} variable k22 equal trap(f_JJ[4])*0.00010723412144001982088 variable k33 equal trap(f_JJ[5])*${scale} variable k33 equal trap(f_JJ[5])*0.00010723412144001982088 thermo_style custom step temp v_Jx v_Jy v_Jz v_k11 v_k22 v_k33 run 2000000 WARNING: More than one compute ke/atom (compute_ke_atom.cpp:55) WARNING: More than one compute ke/atom (compute_ke_atom.cpp:55) Memory usage per processor = 3.22332 Mbytes Step Temp Jx Jy Jz k11 k22 k33 0 499.72285 -0.0045591743 -0.0070168939 -0.0036297883 1.3328518 3.1571797 0.84483536 5000 494.87044 -0.002911282 0.00192697 -0.0016815094 -5.8517775 1.816306 48.59128 10000 507.71608 -0.0040018005 0.0018869219 0.0042511739 -1.3072096 -0.12037741 13.908219 15000 503.28221 0.0053266271 0.0045753169 0.0050813939 0.22676757 7.2645088 9.0561174 20000 494.80411 0.00037364347 -0.0033281062 -0.0013277569 1.946702 13.191567 9.4553261 25000 498.86566 0.00078219922 -0.0068235838 0.0040858994 1.5134041 10.260435 10.957952 30000 491.78783 -0.0081930724 0.00269968 -0.00031749218 3.320433 9.8646245 12.284903 35000 497.91902 -0.0022843199 0.0048957372 -0.00016942609 3.109293 22.629783 11.793255 40000 483.71772 -0.0006896173 0.010172945 -0.0030066621 6.0107703 29.549987 10.246925 45000 505.93291 -0.0029386373 -0.0029639737 -0.0041025424 8.9964987 29.877206 10.919723 50000 493.98661 -0.0036345341 0.00050265404 0.0033964992 8.2719562 27.509716 12.542377 55000 494.50619 0.00098423443 -0.0076919797 -0.0033087224 7.539057 28.266385 11.087975 60000 510.03132 -0.0026745376 -0.0013422974 0.00017713175 6.9741238 34.628308 10.257556 65000 494.46978 1.4844043e-05 -0.0010614842 -3.6567575e-05 7.0040344 39.169053 10.674963 70000 503.52567 -0.0034131608 0.0043357657 0.0024576554 6.5754305 37.691641 10.766113 75000 503.10094 0.0021394171 0.0053206514 0.0044999462 7.4082999 35.959465 10.062686 80000 495.58581 -0.0015984122 0.0060359488 -0.0016946354 7.0883365 33.798056 9.3777255 85000 502.90589 -0.0058564149 0.0026894627 0.0012819749 10.505973 32.196374 8.8320595 90000 500.34659 0.0046668304 0.0021146316 -0.00041549917 12.571176 31.148494 9.4489044 95000 485.81289 -0.0038140543 0.0065020638 0.0032203717 11.720033 30.059884 9.5656014 100000 500.16298 -0.0022515818 -0.004646986 -0.0033007287 11.120149 29.700543 9.1363965 105000 498.25464 -0.00083998006 0.0076262705 0.0020027957 10.986298 29.549863 9.2404853 110000 493.81129 0.002194471 -0.0054170225 0.0043722417 10.67476 28.087396 10.14975 115000 500.51897 -0.0041780942 -0.0023574295 0.0016279696 10.126644 26.84423 11.803555 120000 502.12632 -0.0044532285 -0.0059529294 0.0064227124 9.7484597 25.751785 11.596489 125000 498.70638 -0.0014176703 0.0033864266 -0.0014758928 9.7248736 24.862207 14.529854 130000 490.99523 -0.00087828062 0.0036723209 0.0033828004 10.938559 24.999485 15.08366 135000 504.29633 0.0023817984 -0.0014377791 0.004400366 11.990298 24.718207 15.683871 140000 511.83975 -0.0023681511 0.0017188826 0.0019256877 11.842598 24.110539 15.221427 145000 504.58182 -0.0002086427 0.00096137316 -0.0028943401 11.677938 23.308578 14.711037 150000 500.16633 -0.0054101522 0.00031568225 0.006181115 11.198686 22.928536 15.25706 155000 511.15201 0.0014244374 0.0046452029 0.0084859538 10.822417 22.110713 17.954004 160000 497.13294 0.0068549037 0.0037472765 -0.0040392384 11.385262 21.629342 18.116395 165000 500.88035 0.0061429951 0.0014137618 0.00054448346 11.809071 21.194034 19.798204 170000 507.88007 0.0052197293 -0.0011823451 0.0084037056 11.688211 20.552682 20.83838 175000 512.14289 0.0026020529 -0.0012237993 -0.0034582996 11.423033 20.020997 22.469441 180000 491.16582 0.0014633706 0.00083475132 -0.0036632659 11.408048 20.353018 22.230562 185000 494.88855 -0.0087096498 0.0056745608 -0.0039563082 14.249788 20.434796 21.699274 190000 509.95028 -0.00184689 0.0059028648 0.0038051087 18.448487 19.987849 21.245842 195000 507.14688 0.0023169601 0.0077016797 0.0014903345 19.571774 20.06356 20.598395 200000 501.8056 0.0019117387 0.0047683748 0.00041288399 19.669796 19.526635 20.109945 205000 502.46208 0.0006230304 0.0054764194 -0.0020883336 21.190891 19.818885 20.213051 210000 485.67566 0.00024648301 0.0078983166 0.00034317495 21.356886 21.247068 19.969442 215000 496.4255 0.003888031 -0.003708198 0.00034844494 21.987571 22.985671 19.852332 220000 493.43558 0.0024377085 -0.0037798789 0.0025673784 22.043044 22.762559 19.798631 225000 497.57311 -0.0004471695 -0.0025723441 -0.0027326344 21.589535 22.848236 19.355195 230000 493.71814 0.0010266814 0.00047336314 0.0042678235 21.140648 22.429904 18.984532 235000 496.71173 -0.00042508977 0.0040905728 0.0033719472 20.76454 21.957626 18.479965 240000 488.38932 -0.0051206823 0.006314725 -0.0011442838 21.329575 21.937912 18.209724 245000 500.08005 0.00017983969 0.00010649151 -0.00044996064 21.977617 21.58722 18.215507 250000 500.16333 0.0046621733 0.0071108425 -0.0022213009 21.783204 21.169781 17.827068 255000 495.9297 -0.0011600404 0.0023250821 -0.0057320774 21.635572 20.958329 17.531088 260000 505.35278 0.00065312839 -0.0018838455 0.0036913682 21.203763 20.585815 17.259276 265000 505.88676 -0.0025019317 0.0012507266 -0.0018398934 20.821275 20.342079 16.915318 270000 493.26999 0.0024050076 -0.00050234447 -0.0073169276 20.927218 19.914841 16.646233 275000 493.24484 -0.0076526975 -0.0016665855 0.0019127431 21.465673 19.618031 16.432927 280000 497.91909 1.9023814e-05 -0.0041574535 0.0049617484 21.93963 19.274339 18.126176 285000 493.96196 -0.00625151 -0.0012065383 -0.0042376775 21.702527 18.931752 19.490878 290000 498.99852 -0.0033815425 -0.0013890547 0.0015026534 21.236965 18.803942 19.317631 295000 502.09373 0.0011862366 -0.00069829939 -0.002890522 20.92894 18.493959 19.032268 300000 501.33204 -0.002621416 0.001258184 0.0023421955 21.717569 18.903345 18.832766 305000 488.07506 0.0038797414 -0.0036932701 -0.0026154256 22.021389 19.856987 18.476423 310000 491.52304 0.00045266381 0.0019456218 0.00021557494 21.720915 19.873606 18.170372 315000 509.22804 0.0065414127 0.0014992255 0.0046858147 22.31259 19.553513 18.160099 320000 502.23631 0.0031161179 -0.00044200665 -0.0024416826 22.516246 19.278126 18.720284 325000 487.6619 -0.0020086025 0.0006461576 5.687503e-05 22.173733 19.244711 18.490657 330000 500.16989 0.0017330365 -0.0022947184 -0.0039193573 21.897644 19.700247 18.281061 335000 507.77779 0.00059667077 -0.0028315889 0.0037764816 21.698441 19.459136 18.056444 340000 516.83457 -0.0048459459 0.0022695973 -0.00068492821 21.458473 19.184908 18.165078 345000 488.78452 -0.00053138075 0.0026697445 -0.0029294802 21.395016 18.912496 18.193599 350000 493.57313 -0.0044840095 -0.0011611203 -0.001598945 21.06978 18.694301 17.946915 355000 504.72543 -0.0050887479 -0.00051749264 -0.0039515965 20.809165 18.717272 17.74846 360000 503.81487 -5.2402162e-06 0.0021060648 0.0019649691 20.671952 18.707483 17.578237 365000 498.57414 -0.00015443923 -0.00030881061 -0.0038965953 20.921535 18.892796 17.362759 370000 490.33327 -0.00073423157 0.0011411895 -0.0013631007 21.177484 19.03341 17.136672 375000 501.38675 0.0014421969 0.001692447 -0.0013905485 21.15783 18.797803 16.924838 380000 499.6154 0.0067789474 -0.00010780884 0.0028202633 20.954934 18.564749 16.697734 385000 507.10981 -0.0049199408 0.0011767538 -0.0032325887 20.751222 18.496431 16.482756 390000 504.84312 0.0031369015 -0.0017145362 0.0014390066 20.647445 18.234368 16.273652 395000 482.29528 0.0057288512 0.00047631506 0.0001219345 20.412923 18.034353 16.241064 400000 494.9851 -0.0017094762 0.0041903891 0.0060369614 20.193063 17.806371 15.98325 405000 503.70269 0.0081082144 -0.0020336177 0.0028372278 20.215715 17.578706 16.117318 410000 503.03748 -0.0017625125 0.0024800693 0.0014706812 20.637315 17.898223 15.993611 415000 498.73854 0.0030416894 0.00058849745 0.0033259244 20.865638 17.756522 15.941341 420000 511.58639 -0.0035164673 0.0082735168 -0.00044186044 20.636422 17.544378 15.774911 425000 507.89181 0.003448074 0.0040611772 0.0029387558 20.659461 17.342866 15.611892 430000 497.56868 0.0022238912 0.005566972 -0.0091356521 20.527722 17.257143 15.552152 435000 497.04573 0.00018402283 0.0048283522 -0.0017302384 20.314073 17.286025 15.635098 440000 500.92401 0.0076725507 0.0066714283 -0.0059687343 20.239435 17.764309 15.69069 445000 504.16012 0.0038264009 -0.0006633759 -9.9730652e-05 20.391931 18.599156 15.530652 450000 494.27913 0.0044443106 0.0015400335 -0.0042531502 21.425902 18.854824 15.410308 455000 507.65066 -0.0018007909 -0.0018765269 0.0032969221 22.238503 18.723036 15.194149 460000 514.54104 0.00035383799 -0.0014368009 -0.0061656446 22.360766 18.542546 15.097367 465000 509.16643 -0.0036600737 0.0027077696 -0.0028205316 22.20155 18.856485 14.944016 470000 503.47819 0.0049284537 0.0024732969 -0.00089163065 22.157173 18.8915 14.889023 475000 499.87369 0.003541799 0.001314727 0.0067775965 22.016942 18.672477 14.789322 480000 497.47998 0.0012276087 0.0039212698 -0.00086487784 22.294967 18.475629 14.779202 485000 498.43827 -0.0026723256 -8.6582025e-05 -0.0018860237 22.88142 18.281242 14.600062 490000 507.54382 0.0025294435 0.0029416816 -0.0030794237 22.73387 18.086884 14.462493 495000 493.68225 -0.00037643129 -0.0036752032 -0.0028228682 22.53222 17.939577 14.388121 500000 509.52201 -0.0037576966 0.00019602438 -0.00048966376 22.320175 17.744969 14.32222 505000 499.35213 -0.0066143639 0.001877711 0.0003303211 22.454861 17.637355 14.924113 510000 498.80812 -0.0075583649 0.0047985335 -0.0027127474 23.135777 17.562951 15.464742 515000 506.41841 -0.0043661483 -0.0098218636 -0.00047056176 23.473598 17.409832 15.362417 520000 495.4135 -8.9594886e-05 -0.0039581644 -0.0085274812 23.458925 17.456246 15.224027 525000 498.02132 0.0015948922 -0.0076644611 0.0098526385 23.2219 18.249501 15.186146 530000 492.75072 0.0019451871 -0.0021405463 0.0062437689 23.032484 18.447421 15.230506 535000 489.21299 0.0010320326 0.0062519446 0.001887158 22.98511 18.428352 15.176055 540000 497.59866 -0.0002008399 -0.0054706715 0.00036103369 22.987623 18.286983 15.049619 545000 491.89184 -0.00043830737 -0.0064918164 0.0010022477 22.970405 18.45381 15.331353 550000 494.03035 0.008088815 -0.00294695 0.0031505141 22.842638 18.751481 15.399031 555000 496.04621 0.0024644635 -0.0058921154 0.0030327285 22.630699 18.920765 15.376749 560000 503.27048 0.00029118832 -0.001591439 0.00518385 22.426837 18.74206 15.258792 565000 512.46789 -0.0022348207 0.0035987896 -0.003702228 22.256576 18.752608 15.173754 570000 493.51863 0.0037090037 -0.0028722067 0.0037712739 22.063184 18.873266 15.157623 575000 497.74457 0.0011227783 -0.0036439156 -0.0030484997 21.868064 18.700157 15.256842 580000 499.97033 -0.0069207711 0.0069115935 -0.0012464228 21.691248 18.538927 15.107419 585000 498.0229 0.0047531559 0.00034004504 0.0016735005 21.499355 18.721178 15.168619 590000 483.57351 -0.0023152028 -0.0061205338 -0.0027347735 21.361337 18.971373 15.736968 595000 494.40425 -0.00045597948 0.0012565622 0.0081237278 21.453118 19.265004 16.249191 600000 505.16664 0.001847663 -0.0059972785 0.0090901789 21.651563 19.215577 16.761834 605000 509.40639 -0.010092875 -0.0010116499 0.002745534 22.001247 19.058539 16.842885 610000 498.74233 -0.004419406 -0.0025233914 0.0045610693 22.764091 19.03543 16.743786 615000 500.68227 -0.0028609343 0.008411806 -0.0062260602 23.129557 19.305884 16.613055 620000 499.89096 -0.00077463625 -0.0016500058 -0.0011257235 23.22729 19.597686 16.556835 625000 501.32317 -0.0073367028 0.0019605947 -0.0025511233 23.039314 19.537829 16.946043 630000 496.63953 0.0045305393 -0.0064799724 -0.0071723054 22.928104 19.401248 17.0618 635000 508.23904 0.0011253164 0.00025107973 -0.00056735051 22.735107 19.296781 17.053394 640000 495.00328 0.0038230829 0.0005104984 0.0017463896 22.715276 19.178137 16.968965 645000 499.99043 -0.0036969154 -0.0016938963 -0.0016016903 23.044844 19.037336 17.348319 650000 498.20995 0.0022208625 0.0011479818 -1.0532723e-05 23.309941 19.083378 17.566008 655000 504.63554 0.0022084296 -0.0054106254 0.0024350399 23.364389 19.09542 17.47047 660000 490.82238 0.0016946087 -0.0024593111 -0.00083548841 23.217198 19.03473 17.361901 665000 498.47636 -0.0033199351 0.0025418607 -0.00010445801 23.060728 18.962118 17.873093 670000 504.70772 0.0010463531 0.0073649118 -0.0077391098 22.939794 18.831027 18.582141 675000 491.79567 -0.002239291 0.0065958973 -0.0064645357 22.981659 18.731982 19.305457 680000 503.05679 0.0018141565 0.00076614524 -0.002954855 22.888786 18.60074 19.740384 685000 500.94758 0.0030405978 -0.0032118185 -0.0044374854 22.786865 18.460672 20.222631 690000 501.86865 -2.7248597e-05 0.0060018386 -0.0010005298 22.800557 18.352824 20.211024 695000 500.90451 -0.0020973436 -0.0050724858 -0.00050359994 22.890181 18.224064 20.125222 700000 502.60013 -0.0027699881 -0.00097442375 -0.0040081032 22.879067 18.203819 20.266086 705000 497.26125 0.0064329867 -0.0017921121 0.0046896708 22.734112 18.131842 20.757147 710000 493.48725 0.0039208965 -0.0020426554 -0.0030008182 22.577737 18.106809 21.136442 715000 506.98298 1.4802354e-06 -0.00033265059 -0.0030760185 22.480942 17.969582 21.376752 720000 506.39452 0.0051933594 -0.0052332535 0.00055821416 22.377898 17.862198 21.301824 725000 507.38378 0.0030880741 0.00030069682 0.0010757856 22.31851 17.73217 21.322995 730000 500.47624 0.00050119442 0.0024266258 0.0092657287 22.35707 17.614 21.169615 735000 496.60517 -0.0010270803 -0.0026019852 0.0021267001 22.37057 17.634339 21.0945 740000 500.25149 -0.0037340708 0.0025813068 0.0039103791 22.226205 17.674965 21.064747 745000 494.93007 0.0024969465 0.00066808596 0.0038909394 22.104157 17.647585 21.076007 750000 500.15995 -0.0010703338 -0.002942697 0.0049535499 22.01652 17.581848 21.043123 755000 503.64809 -0.0015380756 0.0037135058 -0.0030285695 21.878723 17.64629 20.901945 760000 493.22563 -0.00045899964 -0.0019157389 1.2433079e-07 21.740144 17.611758 20.761906 765000 507.38811 0.0023400988 0.0017103657 -0.0045948678 21.628181 17.639996 20.678772 770000 513.3672 0.00041080348 0.0013192972 0.0088669861 21.482676 17.625222 20.848345 775000 509.76253 0.0028688416 0.0011851716 0.0067410826 21.348114 17.496748 21.439896 780000 497.80988 0.0047868209 0.0020881902 0.0023276192 21.252312 17.388592 21.76918 785000 493.33362 -0.0053083873 0.0058367753 -0.00018813541 21.198198 17.272468 21.933247 790000 513.27912 -0.00048872998 -0.0022949494 -0.0021744295 21.200107 17.15984 22.483654 795000 511.12488 -0.00076826577 0.0073893866 0.0078935381 21.181768 17.050583 23.68255 800000 491.81766 0.0021629682 -0.0005757685 -0.0024827239 21.195533 16.944598 24.780325 805000 499.13183 0.0011532788 0.00308248 0.0054660706 21.071638 16.866748 24.94582 810000 500.69658 -0.0029026467 0.0012810259 0.0044434936 20.962326 16.777002 25.483942 815000 508.21752 0.0073315288 0.0017767241 0.00096230095 21.077766 16.702333 26.10894 820000 506.0247 -0.00493587 0.00011088969 0.0068464933 21.181639 16.58588 26.545473 825000 491.4069 -0.0027451056 -0.00024089202 0.0028299106 21.15731 16.490967 26.504869 830000 507.82078 -0.00071354005 -0.0042366612 0.0043618769 21.129047 16.372255 26.586303 835000 511.1028 -0.0044729472 0.0042582577 0.0037562545 21.010201 16.281314 26.599995 840000 496.51498 -0.0018947277 0.0038579031 0.0029423078 20.919626 16.193118 26.454914 845000 493.4401 -0.0049614419 0.00089043474 -0.0032296095 20.821666 16.108245 26.294187 850000 513.4376 0.00037419558 -0.0026828943 0.0029847642 20.686174 16.101556 26.602007 855000 497.25026 0.0021605434 -5.445884e-05 0.005464986 20.57302 16.16769 26.868181 860000 502.11081 0.0030274361 -0.0024083858 0.0039946141 20.447936 16.460421 26.9033 865000 501.26286 0.0040110798 0.00076106167 0.00060092794 20.34137 16.585207 26.796433 870000 487.89585 -0.0018839758 -0.001134197 -0.0041803868 20.364335 16.468416 26.809712 875000 497.03263 0.0031152526 -0.0023563178 -0.00014970325 20.235213 16.390928 26.65355 880000 504.47894 -5.7819625e-05 0.00077814639 0.0050363438 20.184679 16.324837 26.533376 885000 494.33759 0.0043625055 -0.0024720938 0.00055537463 20.222816 16.345873 26.445649 890000 502.39398 -0.0059940117 -1.0707823e-05 -0.0014248364 20.089704 16.32802 26.327439 895000 501.07499 -0.00068783477 0.0063656954 0.001807633 20.125468 16.285458 26.410163 900000 488.28562 0.0017019046 0.0069853403 0.007809995 20.058264 16.236687 27.07601 905000 505.25699 -0.0039887436 -0.0041441663 0.0071199511 20.000101 16.304796 27.577515 910000 494.41986 0.0060010907 -0.0084949846 -0.0029293021 19.888179 16.253125 27.526622 915000 500.77323 -0.0058551188 -0.0069157969 -0.0032028772 19.90499 16.326899 27.385556 920000 498.18215 -0.0060800331 0.0027939337 0.0010929371 19.839801 16.249534 27.240351 925000 488.88088 -0.0013023825 -0.0060565633 -0.00012972422 19.734612 16.195183 27.090835 930000 512.15491 -0.0075481358 -8.0739903e-06 -0.0016162996 19.680632 16.181443 26.945302 935000 508.67368 0.0033297806 0.0019040497 -0.00030066155 19.614232 16.213518 26.847324 940000 496.42108 -0.0013539951 -0.0013298571 -0.0008387058 19.508796 16.12362 26.729216 945000 508.97173 -0.00018453654 -0.0036638458 -0.0048917997 19.462299 16.031801 26.722805 950000 498.30488 -0.0034724525 -0.003586593 -0.0014850517 19.464756 15.95448 26.979661 955000 499.03587 0.0032996976 -0.0033920676 -0.0021076666 19.392758 15.917358 27.43251 960000 506.99203 0.0023777598 -0.0034300505 -0.0023812539 19.681594 16.245386 27.728781 965000 502.32892 0.0020674144 -0.0022213766 -0.0019422824 19.55923 17.085989 27.782943 970000 519.58898 -0.0018539251 -0.0031472704 0.0018775947 19.474466 17.89159 27.711384 975000 506.10431 -0.0058489175 -0.00043550453 0.0045352402 19.449144 18.417389 27.575451 980000 504.40206 -0.0028332804 -0.0018400594 0.002873001 19.701068 18.430787 27.457065 985000 504.50585 -0.0010828248 -0.0012516125 -0.0011686426 19.710505 18.418934 27.400584 990000 491.99003 0.004190282 -0.0021635964 0.001556216 19.839499 18.476549 27.269519 995000 504.86988 0.0063869691 0.0029286598 -0.0017853043 19.768151 18.530253 27.14368 1000000 511.61547 0.00067935734 -0.0026806517 -0.0021750384 19.9698 18.557328 27.02475 1005000 496.12464 0.00071043432 0.0047291704 -0.002981404 20.17003 18.543147 26.959626 1010000 499.85311 -0.00037363235 -0.0031307401 -0.00081914625 20.07233 18.463235 26.912907 1015000 489.83003 0.00092994315 -0.0042368151 -0.002877258 20.113672 18.497661 27.380621 1020000 496.86755 0.0036727164 0.00015983781 -0.0052908219 20.121062 18.464081 28.048931 1025000 492.9073 0.0016150623 -6.9740553e-05 0.0038380111 20.04277 18.370936 27.868812 1030000 498.39523 -0.0043240277 -0.0052979349 0.002737454 19.967903 18.39708 27.744216 1035000 504.71688 0.0064457753 0.0043624757 0.0033335855 19.918438 18.484333 27.608973 1040000 493.22173 -0.0032735173 1.9094968e-05 0.00066652022 20.069617 18.430098 27.496832 1045000 513.78773 0.0015228661 -0.0034561091 -0.00091788146 20.07788 18.34072 27.465421 1050000 490.81266 0.0026374276 0.00025201502 -0.0040719678 19.983545 18.268691 27.370416 1055000 491.48086 0.0003721923 -0.0096187557 0.0002645251 19.919872 18.308344 27.248812 1060000 501.01483 -0.0022453442 0.0030709361 0.0036198497 19.85202 18.323736 27.132574 1065000 495.696 -0.0033279277 0.0017768062 -0.0033150535 19.772949 18.538708 27.001436 1070000 485.476 -0.0040136384 0.0036424112 0.00039639016 19.730306 18.808125 26.918331 1075000 492.41567 -0.0049604617 -0.0019737502 5.4912427e-05 19.690169 18.87475 26.857524 1080000 501.71504 -0.0027131417 -0.00057503458 -0.0015592246 19.664842 19.177522 26.760203 1085000 492.26102 0.00079609067 0.0016510812 0.002560708 19.655484 19.120795 26.646842 1090000 510.41168 -0.0022656831 -0.0019450123 -0.00094141087 19.550856 19.040601 26.527722 1095000 497.97499 0.0053152692 0.0015082618 0.00241168 19.493185 18.95625 26.404094 1100000 495.13981 -0.0028994107 -0.0018595992 0.0070640869 19.585105 18.872866 26.298789 1105000 492.02365 0.0079117296 0.0037402944 0.0073432421 19.618355 18.786354 26.171113 1110000 504.17127 -0.0034757582 -0.0012829837 -0.002873824 19.725841 18.715166 26.051939 1115000 512.12942 -0.00055432331 0.0064942601 -0.0020511769 19.775218 18.689953 26.058441 1120000 511.24456 -0.0025028007 0.0027273829 0.00033789107 19.74314 18.655041 26.31642 1125000 500.62867 -0.004912903 0.0020691543 0.0046212863 19.679762 18.570622 26.521068 1130000 491.66693 -0.0071953599 0.00074434926 0.0056805777 19.953301 18.499006 26.531733 1135000 502.23253 -0.0024172219 -0.00050198017 0.0057595669 20.452949 18.437944 26.538153 1140000 509.29648 0.0043590771 0.0050926122 0.00022538598 20.482308 18.395498 26.594857 1145000 494.84765 0.00058306323 0.0032283535 -0.001312158 20.407445 18.310957 26.619282 1150000 491.41375 -0.0021920887 0.00071013539 -0.0035010787 20.343616 18.248473 26.532014 1155000 502.88392 0.0027764954 -0.0031578532 -0.0081978464 20.26283 18.17963 26.520313 1160000 502.64011 0.0033491163 -0.0030028829 0.0020331292 20.200194 18.218548 26.771192 1165000 495.42231 0.0098680439 0.001462615 0.00039439393 20.134587 18.722343 26.707167 1170000 494.38291 -0.0034399696 -0.001536159 0.00084436137 20.077667 19.134326 26.659504 1175000 500.26474 -0.0045945311 -0.0008120528 2.0092393e-05 20.017145 19.120946 26.558055 1180000 503.8889 -0.0025702752 0.003176263 -0.00013620031 19.972952 19.076843 26.44373 1185000 504.2393 -0.00019957126 0.0036437925 -0.0019749399 19.898627 19.004021 26.414811 1190000 498.20031 -0.004681695 0.00047994643 -0.0037864152 19.929024 18.944704 26.310888 1195000 492.71489 0.0027074524 -0.0026992436 -0.0036619841 19.855314 18.881984 26.298766 1200000 498.62429 0.0010630744 -0.0017016152 0.0014722178 19.803596 18.949544 26.189016 1205000 515.1324 0.0066849593 -0.0052702694 0.00061517369 19.892643 18.993858 26.131334 1210000 499.58233 0.002441553 0.00059788144 0.0049649462 19.930352 19.098534 26.183365 1215000 491.92912 -0.00030377651 0.0018311059 -0.0041026842 19.918464 19.09339 26.139964 1220000 500.35709 -0.002659512 0.0011869085 0.00030038812 19.833516 19.040332 26.061186 1225000 501.89831 -9.9453748e-05 0.00030808684 -0.0027937113 19.780037 19.033441 25.953534 1230000 489.2704 -0.0024297262 0.0016149703 0.0015759759 19.722223 19.012784 25.86881 1235000 500.93871 0.0014708693 0.0022941063 -0.0067841686 19.642154 19.237744 25.766566 1240000 489.1097 0.0045118582 0.0023188699 -0.0036720556 19.565345 19.542825 25.725233 1245000 501.34325 0.0014338305 -0.0015680402 0.0032776473 19.49236 19.659942 25.637126 1250000 498.60927 0.0026535906 0.00014902867 0.0045762784 19.411222 19.590443 25.538527 1255000 487.61332 0.00060576066 -0.0021084959 0.00036154779 19.349772 19.62457 25.429509 1260000 504.836 -0.0073897471 0.001859732 -0.0026172335 19.297599 19.622581 25.363993 1265000 495.20008 0.0012043227 0.0017207239 0.007999121 19.330253 19.584733 25.293102 1270000 501.22723 0.0051701964 0.0037061842 0.0022660341 19.254426 19.50449 25.247468 1275000 504.12969 -0.0076090268 -0.00054107365 -0.00018160154 19.187513 19.497499 25.186369 1280000 494.74714 -0.0023953481 0.0027256226 -0.0067924176 19.155058 19.472988 25.078134 1285000 496.57538 -0.0063413063 0.0028713735 -0.0018507467 19.154834 19.39715 24.979004 1290000 501.2537 -0.0049847819 0.00031698838 0.0028728725 19.179371 19.329281 24.934777 1295000 501.24193 -0.0077243907 -0.0084338411 -0.0036348 19.273742 19.313697 24.982234 1300000 508.9298 -0.0020895598 -0.0067756041 0.0041972821 19.838322 19.270759 25.204137 1305000 506.15856 -0.0048928548 -0.002848725 0.0057471383 20.637751 19.200491 25.525599 1310000 492.66237 -0.0041514094 0.0026897483 0.0032321034 21.109497 19.137212 25.455288 1315000 485.28183 -0.0010359593 0.0013002339 0.0019021565 21.527988 19.221361 25.383497 1320000 505.61436 -0.0045825343 0.0012109301 0.0047044696 21.712523 19.651872 25.291179 1325000 508.77705 -0.00082801274 0.0057931882 -0.0012598911 21.914739 20.234645 25.228822 1330000 496.47718 0.0040332731 -0.0022724163 -0.0014258854 22.054479 20.443513 25.14531 1335000 496.29285 0.0022381137 0.00046507492 0.0070986679 21.991745 20.534969 25.079852 1340000 488.9308 -0.0024274191 0.0039476943 0.0014918135 22.161743 20.904263 24.973164 1345000 491.81153 -0.0042008986 0.0011089185 -0.0084686208 22.095643 21.024852 24.876164 1350000 492.67062 0.0025913204 0.0075763769 -1.8622357e-05 22.047355 21.021707 24.823163 1355000 506.03984 0.0044871501 -0.00046514975 0.006131621 22.088673 21.052999 25.035843 1360000 488.70274 0.0013394928 0.0021903875 0.0016895347 22.013453 21.069931 25.086594 1365000 497.87815 0.006031565 0.0036099734 0.0025737175 22.03675 21.18449 25.074244 1370000 502.73181 -0.0018640875 -0.0012601412 0.0059553097 22.138862 21.493284 24.973852 1375000 490.59485 -0.0011046798 -0.0024963569 0.0031530944 22.034853 21.643274 24.903773 1380000 486.6359 -0.0072605392 -0.0034283872 -0.0010914681 21.967162 21.610333 24.857386 1385000 495.65366 -0.0037357854 -0.005329015 -0.0022072242 21.890691 21.540339 24.872366 1390000 492.86997 0.0051436979 -0.0077947286 0.0065350151 21.939315 21.551576 24.823046 1395000 502.41391 -0.0024997047 -0.000943301 -0.0027209793 21.970338 21.563931 24.863334 1400000 509.37088 0.0036570936 -0.00092250238 -0.00036976016 22.043446 21.493292 24.783392 1405000 508.2065 0.0016199846 -0.0067273149 -0.0006769854 22.158541 21.418366 24.83534 1410000 502.43218 0.0040461636 -0.0054331039 -0.0050496608 22.277302 21.393307 24.981565 1415000 502.27512 -0.00040264907 -0.0026422947 0.0051524767 22.208565 21.5408 24.958546 1420000 497.75336 -0.001328062 -0.0013594221 0.0017068253 22.148363 21.833693 24.871772 1425000 504.25883 0.0051528485 -0.0028459194 -0.0011468333 22.1508 21.93553 24.795237 1430000 497.27265 0.0020794364 -0.00079231029 0.00036261829 22.22972 21.946497 24.723334 1435000 492.75144 0.003360312 0.0011833501 0.0035904075 22.260679 21.98117 24.697973 1440000 495.11733 0.0057030519 0.00093573674 0.0077859926 22.470249 21.930484 24.706398 1445000 489.27926 6.5690021e-05 0.0072893794 0.0044683716 22.757834 21.858295 24.668644 1450000 497.1175 -0.0035469007 0.00044334481 -0.0033494655 22.957341 21.838856 24.62887 1455000 486.0469 -0.0033422486 0.00029238431 -0.00038592045 22.938069 21.76141 24.643362 1460000 500.89555 0.005468394 0.0045156771 0.00046215893 22.863615 21.686805 24.630616 1465000 498.32709 0.00027624415 0.0019356728 0.0021106725 22.853584 21.618123 24.559961 1470000 498.37128 0.00037386118 0.0040750046 0.0016896892 23.016805 21.661542 24.482563 1475000 517.80333 4.4027395e-05 -0.0020466774 -0.005483982 23.044426 21.726765 24.422961 1480000 491.94948 -0.0051372083 -0.00026152938 -0.0043069853 23.084296 21.662695 24.349915 1485000 488.24736 0.0026685309 -0.0005661126 0.0020302302 23.179907 21.601413 24.416357 1490000 495.77116 1.8748389e-05 -0.0057283466 0.0077787531 23.113467 21.610581 24.566931 1495000 515.99158 -0.0015273364 0.0035438248 -0.0048187086 23.082581 21.660545 24.693013 1500000 501.31555 0.0056662432 -0.0064930116 0.00022420736 23.197241 22.04356 24.712029 1505000 504.77414 -0.0035119291 -0.0028547273 0.0068828614 23.165372 22.180711 24.679611 1510000 491.39582 -0.0036607348 -0.0070013103 0.0016989321 23.099052 22.251059 24.648712 1515000 503.46787 0.00090343775 -0.0024742579 0.00056447406 23.0294 22.286573 24.653434 1520000 490.98163 0.0040794531 -0.0013162354 0.0027291652 23.049967 22.335168 24.657983 1525000 494.99879 0.0011436414 -0.0013239546 0.0024425905 23.013854 22.253903 24.907905 1530000 498.44262 0.0014043628 0.0020493115 0.0001178343 22.945246 22.182235 25.28888 1535000 502.10865 -0.0044830826 0.00044562938 0.0050905054 22.87201 22.183141 25.50797 1540000 495.3263 -0.0023725719 -0.00019824352 0.0042782366 22.819945 22.20758 25.679603 1545000 490.54675 0.0036254965 -0.0024921611 0.0020478278 22.737803 22.29614 25.668454 1550000 504.03967 -0.0020898473 -0.00075483666 0.0010553847 22.665722 22.330704 25.593975 1555000 495.31436 4.9767597e-05 0.0030262704 -0.0032506746 22.593295 22.245139 25.519073 1560000 505.28771 -0.0019098133 -0.00028745335 -0.0045213368 22.521674 22.16961 25.46233 1565000 510.70097 -0.00015361853 0.0025015523 0.00208314 22.462922 22.096265 25.441406 1570000 498.02798 0.0060418314 0.0024951653 -0.0020368518 22.384913 22.056276 25.393365 1575000 506.07016 -0.00070134505 0.0011467583 -0.0014922406 22.353433 22.080243 25.394136 1580000 501.64737 0.0033024133 -0.00094327458 -0.0029442207 22.297402 22.026566 25.326954 1585000 489.56453 0.0026400297 -0.0047135893 -0.0061582042 22.273226 22.03269 25.245374 1590000 494.86526 0.0005892135 0.0047138848 0.001364104 22.232827 22.086149 25.168931 1595000 489.36056 0.0037308059 0.0025900948 -0.0013017448 22.175367 22.02371 25.119998 1600000 508.31363 0.0013637837 -0.0038179168 -0.0053544683 22.11265 21.954549 25.106797 1605000 496.93131 0.00076473096 0.002290625 -0.0014741315 22.065287 21.921056 25.061475 1610000 490.6628 -0.0017191033 0.0016842657 0.00097486159 22.027397 21.880237 24.984316 1615000 501.27775 0.00020758213 0.0027227956 -0.0044669149 21.962854 21.821053 24.908556 1620000 510.22567 0.0036507385 -0.0019625458 0.0087614959 21.895612 21.755367 24.839669 1625000 505.33232 -0.0024140129 0.00060725149 0.0014647176 21.872933 21.695351 24.77366 1630000 497.27101 0.00049980791 0.0025264641 -0.00071779169 22.007775 21.658949 24.741237 1635000 502.64803 0.0039019368 -0.00026047708 0.00073615835 21.965034 21.760328 24.677352 1640000 498.76869 -0.0030050571 0.0026350108 -8.5755479e-05 21.963468 21.862972 24.614343 1645000 490.86451 0.0096812544 -0.0076827804 0.0054747852 21.977483 21.951605 24.635807 1650000 493.93877 0.00022185496 0.00021905778 0.0019473853 21.903345 22.039463 24.77231 1655000 498.48334 0.0012082503 0.0013846875 0.00074188105 21.854828 21.999851 24.696257 1660000 494.31134 0.0017531761 -0.0014107075 -0.0024723283 21.780576 21.943848 24.658593 1665000 496.84883 -0.0027029266 -0.00095309638 -0.0017336528 21.757706 21.877326 24.689801 1670000 491.98438 -0.0013928763 0.00041773343 -0.0011679825 21.696773 21.823934 24.68391 1675000 499.36683 0.00028734079 -0.0043421505 -0.0021050906 21.634142 21.789738 24.71416 1680000 487.71382 -0.002288347 0.00052712551 -0.0029443046 21.63494 21.834796 24.763628 1685000 497.61847 -0.0057251361 -0.0023580749 -0.00067030092 21.597492 21.8937 24.853959 1690000 497.61479 -0.00087339781 0.0022589859 -0.0038611461 21.542932 22.126399 24.851975 1695000 506.1312 0.0019637578 -0.00032055713 -0.0074874285 21.495214 22.054785 24.821325 1700000 485.09146 -0.0021740419 0.0023953673 -0.0092936022 21.493857 22.025081 24.82413 1705000 505.72903 0.00030018403 -0.0050117806 -0.0014967802 21.442306 21.979185 24.842701 1710000 501.46816 0.0036605125 -0.0022233485 -0.001961387 21.390298 21.919495 24.931959 1715000 494.59771 0.0032579831 0.004189226 -0.0066799269 21.325237 22.18494 24.917855 1720000 499.93115 -0.003796783 -0.0037581694 0.00016183351 21.302858 22.585317 24.997652 1725000 488.78271 0.00015004301 -0.0064058028 -0.0021439859 21.233811 22.755246 25.112479 1730000 506.59079 0.0034303189 -0.0020391422 6.5205271e-05 21.171257 22.779022 25.34376 1735000 507.75071 0.0046144612 -0.0015200064 0.0029816594 21.153586 22.958672 25.263045 1740000 502.6725 0.0033775071 0.0024587432 0.0011859608 21.253259 22.901939 25.206683 1745000 496.24981 0.0024486127 -0.00471689 -0.0034191819 21.282709 22.870953 25.138365 1750000 491.58406 0.0051105258 -0.0019786567 -0.0043807668 21.431736 23.08449 25.066924 1755000 495.8007 0.0072638384 0.0025599995 0.0013254165 21.595979 23.084763 24.99994 1760000 491.68882 -0.0021607515 0.0017996578 0.00087053622 21.699016 23.094295 24.938296 1765000 497.29553 0.0075422831 0.0045205079 0.0012389549 21.713239 23.068826 24.880956 1770000 498.63682 0.00078222563 0.00054096944 -0.0028229461 21.654857 23.003177 24.917143 1775000 497.87698 0.00025029703 0.0056475104 0.00019617449 21.615705 22.955322 24.874034 1780000 497.40107 -0.0039550662 0.0015743033 -0.0080638979 21.655009 22.934499 24.82206 1785000 508.28972 -0.0061034624 -0.0015031883 0.0025319357 21.642181 22.897759 24.812748 1790000 495.80522 -0.00069664698 -0.0015394727 -0.0030249107 21.596884 22.865167 24.788958 1795000 505.07322 -0.0031135162 0.0016337562 -0.0076611961 21.541595 22.809493 24.756635 1800000 492.23231 -0.004448392 -0.0033599229 0.0031347898 21.501744 22.750898 24.69548 1805000 494.18647 -0.0018410557 0.0015686321 0.0009998998 21.480719 22.697612 24.63421 1810000 503.36801 -0.0018163357 0.0019593271 -0.0050361787 21.441455 22.643031 24.563184 1815000 494.09007 -0.0039043105 -0.0065771695 0.0017393296 21.405589 22.612569 24.49874 1820000 499.12104 -0.0032760669 0.0028421224 0.0038100295 21.412112 22.564902 24.54741 1825000 494.82267 -0.0035542628 0.0066256718 0.0018135623 21.448311 22.570254 24.500637 1830000 495.75943 -0.0045439777 0.0035374907 0.0020034725 21.420307 22.513518 24.468622 1835000 506.67305 0.0012476791 -0.0014091654 0.00049422793 21.3914 22.457362 24.584235 1840000 502.28087 -0.002358391 7.8764846e-05 -0.0049385257 21.324894 22.405238 24.554914 1845000 497.61485 -0.0016137917 -6.8754858e-05 0.0042831436 21.290896 22.360023 24.52611 1850000 495.33198 -0.0045507555 0.0047148177 0.0030763734 21.318527 22.294845 24.634809 1855000 501.15808 -0.0040297772 -0.0062603095 0.0048971456 21.414314 22.268761 24.693488 1860000 492.30479 0.0064364615 -0.0040913417 0.0028348206 21.379798 22.263415 24.703221 1865000 505.28729 -0.0027064381 -0.0096968767 -0.0022145475 21.325105 22.235611 24.646075 1870000 506.39294 0.00080789703 0.0031806553 -0.0021031326 21.363607 22.285786 24.607999 1875000 497.16396 -0.0039247858 -0.0012826673 0.0011499354 21.441262 22.262965 24.539004 1880000 496.954 0.0033373905 0.0017438596 -0.0051777184 21.446339 22.23877 24.484616 1885000 501.71657 0.0032169411 -0.00067341349 -0.003227182 21.463132 22.352073 24.429258 1890000 501.76297 0.0014498207 0.0002263397 -0.00083142797 21.477825 22.463321 24.36709 1895000 508.85869 0.00075067327 -0.0038122296 0.0017892384 21.504321 22.529588 24.415414 1900000 487.68249 0.0032683448 0.0065614835 -0.0037737696 21.655868 22.473236 24.452863 1905000 505.16186 -0.00091860507 -0.00010273757 -0.0003776139 21.586253 22.416059 24.459692 1910000 497.29496 0.0025144052 0.00037099378 0.0012562975 21.529864 22.367527 24.402382 1915000 499.13246 0.0015789785 0.0031687515 -0.0056111555 21.483865 22.345861 24.436322 1920000 503.01916 -7.1734281e-05 0.0030156777 -0.004231044 21.422228 22.291249 24.509793 1925000 507.1368 0.0035679946 0.00097506242 0.0001225271 21.394463 22.240119 24.530498 1930000 494.55518 0.0070301787 -0.0027143348 -0.003958648 21.38222 22.184503 24.480824 1935000 499.0574 0.00022032197 0.00086048767 0.0056947931 21.347945 22.12962 24.434159 1940000 500.10396 -0.0044580197 0.0034399539 0.0037235181 21.294322 22.097064 24.369686 1945000 503.58262 0.0029545778 0.0011004794 -0.0014499382 21.253246 22.047957 24.322758 1950000 492.46963 -0.00419803 0.00437925 0.0022251214 21.190004 22.036888 24.315967 1955000 501.89113 -0.0032647342 0.00044954579 0.00067599723 21.152116 22.02715 24.448684 1960000 497.2574 -0.0024762699 0.0028760061 0.00032614854 21.139806 21.965874 24.581827 1965000 497.7515 0.0024030411 0.0057094398 0.0029455739 21.089138 21.933671 24.865472 1970000 509.96943 0.0023987506 -0.0029723928 0.0047121135 21.061797 21.882357 24.824628 1975000 499.36617 -0.0047229072 -0.0015125595 0.00063950015 21.057295 21.844947 24.771036 1980000 486.62018 -0.00097402621 0.00027175642 -0.0025980673 21.036231 21.797132 24.712276 1985000 505.78335 -0.0076191204 0.0039098287 -0.004503724 21.013968 21.763543 24.686591 1990000 513.73156 0.0003528506 -0.00099844232 -0.0023048129 20.984499 21.807853 24.732953 1995000 495.8891 0.0021705181 -0.0080039874 0.0044318402 20.948054 21.808802 24.712908 2000000 506.11969 -0.004677124 -0.00260435 1.4710654e-05 20.89512 21.748394 24.676169 Loop time of 382.812 on 64 procs for 2000000 steps with 1728 atoms Pair time (%) = 180.614 (47.1808) Neigh time (%) = 0 (0) Comm time (%) = 144.207 (37.6703) Outpt time (%) = 0.16537 (0.0431988) Other time (%) = 57.8262 (15.1056) Nlocal: 27 ave 34 max 23 min Histogram: 8 10 10 12 8 8 2 4 0 2 Nghost: 400.5 ave 405 max 394 min Histogram: 2 1 4 3 10 9 14 8 8 5 Neighs: 0 ave 0 max 0 min Histogram: 64 0 0 0 0 0 0 0 0 0 FullNghs: 943.531 ave 1199 max 791 min Histogram: 5 11 9 14 9 8 3 3 0 2 Total # of neighbors = 60386 Ave neighs/atom = 34.9456 Neighbor list builds = 0 Dangerous builds = 0 variable k equal (v_k11+v_k22+v_k33)/3.0 variable ndens equal count(all)/vol print "average conductivity: $k[W/mK] @ $T K, ${ndens} /A^3" average conductivity: 22.439894190591996193[W/mK] @ 500 K, 0.049967831022686544362 /A^3