# Bond potential harmonic for bond type 1: i,r,energy,force

Harmonic_bond
N 500 EQ 4.5

1 0.5 480 240
2 0.513026052104208 476.878837835993 239.218436873747
3 0.526052104208417 473.767856353991 238.436873747495
4 0.539078156312625 470.667055553994 237.655310621243
5 0.552104208416834 467.576435436002 236.87374749499
6 0.565130260521042 464.495996000016 236.092184368737
7 0.57815631262525 461.425737246035 235.310621242485
8 0.591182364729459 458.36565917406 234.529058116233
9 0.604208416833667 455.315761784089 233.74749498998
10 0.617234468937876 452.276045076124 232.965931863727
11 0.630260521042084 449.246509050164 232.184368737475
12 0.643286573146293 446.22715370621 231.402805611222
13 0.656312625250501 443.217979044261 230.62124248497
14 0.669338677354709 440.218985064317 229.839679358717
15 0.682364729458918 437.230171766378 229.058116232465
16 0.695390781563126 434.251539150445 228.276553106212
17 0.708416833667335 431.283087216517 227.49498997996
18 0.721442885771543 428.324815964595 226.713426853707
19 0.734468937875752 425.376725394677 225.931863727455
20 0.74749498997996 422.438815506765 225.150300601202
21 0.760521042084168 419.511086300858 224.36873747495
22 0.773547094188377 416.593537776957 223.587174348697
23 0.786573146292585 413.686169935061 222.805611222445
24 0.799599198396794 410.78898277517 222.024048096192
25 0.812625250501002 407.901976297284 221.24248496994
26 0.82565130260521 405.025150501404 220.460921843687
27 0.838677354709419 402.158505387529 219.679358717435
28 0.851703406813627 399.302040955659 218.897795591182
29 0.864729458917836 396.455757205794 218.11623246493
30 0.877755511022044 393.619654137935 217.334669338677
31 0.890781563126252 390.793731752081 216.553106212425
32 0.903807615230461 387.977990048233 215.771543086172
33 0.916833667334669 385.172429026389 214.98997995992
34 0.929859719438878 382.377048686551 214.208416833667
35 0.942885771543086 379.591849028719 213.426853707415
36 0.955911823647295 376.816830052891 212.645290581162
37 0.968937875751503 374.051991759069 211.86372745491
38 0.981963927855711 371.297334147252 211.082164328657
39 0.99498997995992 368.552857217441 210.300601202405
40 1.00801603206413 365.818560969635 209.519038076152
41 1.02104208416834 363.094445403834 208.7374749499
42 1.03406813627255 360.380510520038 207.955911823647
43 1.04709418837675 357.676756318248 207.174348697395
44 1.06012024048096 354.983182798463 206.392785571142
45 1.07314629258517 352.299789960683 205.61122244489
46 1.08617234468938 349.626577804908 204.829659318637
47 1.09919839679359 346.963546331139 204.048096192385
48 1.1122244488978 344.310695539375 203.266533066132
49 1.125250501002 341.668025429617 202.48496993988
50 1.13827655310621 339.035536001863 201.703406813627
51 1.15130260521042 336.413227256115 200.921843687375
52 1.16432865731463 333.801099192373 200.140280561122
53 1.17735470941884 331.199151810635 199.35871743487
54 1.19038076152305 328.607385110903 198.577154308617
55 1.20340681362725 326.025799093176 197.795591182365
56 1.21643286573146 323.454393757455 197.014028056112
57 1.22945891783567 320.893169103739 196.23246492986
58 1.24248496993988 318.342125132028 195.450901803607
59 1.25551102204409 315.801261842322 194.669338677355
60 1.2685370741483 313.270579234622 193.887775551102
61 1.2815631262525 310.750077308927 193.10621242485
62 1.29458917835671 308.239756065237 192.324649298597
63 1.30761523046092 305.739615503552 191.543086172345
64 1.32064128256513 303.249655623873 190.761523046092
65 1.33366733466934 300.769876426199 189.97995991984
66 1.34669338677355 298.30027791053 189.198396793587
67 1.35971943887776 295.840860076867 188.416833667335
68 1.37274549098196 293.391622925209 187.635270541082
69 1.38577154308617 290.952566455556 186.85370741483
70 1.39879759519038 288.523690667909 186.072144288577
71 1.41182364729459 286.104995562267 185.290581162325
72 1.4248496993988 283.69648113863 184.509018036072
73 1.43787575150301 281.298147396998 183.72745490982
74 1.45090180360721 278.909994337372 182.945891783567
75 1.46392785571142 276.532021959751 182.164328657315
76 1.47695390781563 274.164230264136 181.382765531062
77 1.48997995991984 271.806619250525 180.60120240481
78 1.50300601202405 269.45918891892 179.819639278557
79 1.51603206412826 267.12193926932 179.038076152305
80 1.52905811623246 264.794870301726 178.256513026052
81 1.54208416833667 262.477982016136 177.4749498998
82 1.55511022044088 260.171274412553 176.693386773547
83 1.56813627254509 257.874747490974 175.911823647295
84 1.5811623246493 255.588401251401 175.130260521042
85 1.59418837675351 253.312235693833 174.34869739479
86 1.60721442885772 251.04625081827 173.567134268537
87 1.62024048096192 248.790446624712 172.785571142285
88 1.63326653306613 246.54482311316 172.004008016032
89 1.64629258517034 244.309380283613 171.22244488978
90 1.65931863727455 242.084118136072 170.440881763527
91 1.67234468937876 239.869036670535 169.659318637275
92 1.68537074148297 237.664135887004 168.877755511022
93 1.69839679358717 235.469415785479 168.09619238477
94 1.71142284569138 233.284876365958 167.314629258517
95 1.72444889779559 231.110517628443 166.533066132265
96 1.7374749498998 228.946339572933 165.751503006012
97 1.75050100200401 226.792342199429 164.96993987976
98 1.76352705410822 224.64852550793 164.188376753507
99 1.77655310621242 222.514889498436 163.406813627255
100 1.78957915831663 220.391434170947 162.625250501002
101 1.80260521042084 218.278159525464 161.84368737475
102 1.81563126252505 216.175065561986 161.062124248497
103 1.82865731462926 214.082152280513 160.280561122245
104 1.84168336673347 211.999419681045 159.498997995992
105 1.85470941883768 209.926867763583 158.717434869739
106 1.86773547094188 207.864496528126 157.935871743487
107 1.88076152304609 205.812305974675 157.154308617234
108 1.8937875751503 203.770296103229 156.372745490982
109 1.90681362725451 201.738466913788 155.591182364729
110 1.91983967935872 199.716818406352 154.809619238477
111 1.93286573146293 197.705350580921 154.028056112224
112 1.94589178356713 195.704063437496 153.246492985972
113 1.95891783567134 193.712956976076 152.464929859719
114 1.97194388777555 191.732031196662 151.683366733467
115 1.98496993987976 189.761286099253 150.901803607214
116 1.99799599198397 187.800721683849 150.120240480962
117 2.01102204408818 185.85033795045 149.338677354709
118 2.02404809619238 183.910134899057 148.557114228457
119 2.03707414829659 181.980112529669 147.775551102204
120 2.0501002004008 180.060270842286 146.993987975952
121 2.06312625250501 178.150609836908 146.212424849699
122 2.07615230460922 176.251129513536 145.430861723447
123 2.08917835671343 174.361829872169 144.649298597194
124 2.10220440881764 172.482710912808 143.867735470942
125 2.11523046092184 170.613772635451 143.086172344689
126 2.12825651302605 168.7550150401 142.304609218437
127 2.14128256513026 166.906438126755 141.523046092184
128 2.15430861723447 165.068041895414 140.741482965932
129 2.16733466933868 163.239826346079 139.959919839679
130 2.18036072144289 161.421791478749 139.178356713427
131 2.19338677354709 159.613937293425 138.396793587174
132 2.2064128256513 157.816263790105 137.615230460922
133 2.21943887775551 156.028770968791 136.833667334669
134 2.23246492985972 154.251458829483 136.052104208417
135 2.24549098196393 152.484327372179 135.270541082164
136 2.25851703406814 150.727376596881 134.488977955912
137 2.27154308617234 148.980606503588 133.707414829659
138 2.28456913827655 147.244017092301 132.925851703407
139 2.29759519038076 145.517608363019 132.144288577154
140 2.31062124248497 143.801380315742 131.362725450902
141 2.32364729458918 142.09533295047 130.581162324649
142 2.33667334669339 140.399466267204 129.799599198397
143 2.3496993987976 138.713780265943 129.018036072144
144 2.3627254509018 137.038274946687 128.236472945892
145 2.37575150300601 135.372950309437 127.454909819639
146 2.38877755511022 133.717806354191 126.673346693387
147 2.40180360721443 132.072843080952 125.891783567134
148 2.41482965931864 130.438060489717 125.110220440882
149 2.42785571142285 128.813458580488 124.328657314629
150 2.44088176352705 127.199037353264 123.547094188377
151 2.45390781563126 125.594796808045 122.765531062124
152 2.46693386773547 124.000736944832 121.983967935872
153 2.47995991983968 122.416857763623 121.202404809619
154 2.49298597194389 120.843159264421 120.420841683367
155 2.5060120240481 119.279641447223 119.639278557114
156 2.5190380761523 117.726304312031 118.857715430862
157 2.53206412825651 116.183147858844 118.076152304609
158 2.54509018036072 114.650172087662 117.294589178357
159 2.55811623246493 113.127376998486 116.513026052104
160 2.57114228456914 111.614762591315 115.731462925852
161 2.58416833667335 110.112328866149 114.949899799599
162 2.59719438877756 108.620075822989 114.168336673347
163 2.61022044088176 107.138003461833 113.386773547094
164 2.62324649298597 105.666111782684 112.605210420842
165 2.63627254509018 104.204400785539 111.823647294589
166 2.64929859719439 102.7528704704 111.042084168337
167 2.6623246492986 101.311520837266 110.260521042084
168 2.67535070140281 99.880351886137 109.478957915832
169 2.68837675350701 98.4593636170136 108.697394789579
170 2.70140280561122 97.0485560298955 107.915831663327
171 2.71442885771543 95.6479291247827 107.134268537074
172 2.72745490981964 94.2574829016751 106.352705410822
173 2.74048096192385 92.8772173605729 105.571142284569
174 2.75350701402806 91.5071325014759 104.789579158317
175 2.76653306613226 90.1472283243842 104.008016032064
176 2.77955911823647 88.7975048292979 103.226452905812
177 2.79258517034068 87.4579620162168 102.444889779559
178 2.80561122244489 86.1285998851411 101.663326653307
179 2.8186372745491 84.8094184360706 100.881763527054
180 2.83166332665331 83.5004176690054 100.100200400802
181 2.84468937875751 82.2015975839455 99.3186372745491
182 2.85771543086172 80.9129581808908 98.5370741482966
183 2.87074148296593 79.6344994598415 97.7555110220441
184 2.88376753507014 78.3662214207975 96.9739478957916
185 2.89679358717435 77.1081240637588 96.1923847695391
186 2.90981963927856 75.8602073887254 95.4108216432866
187 2.92284569138277 74.6224713956972 94.6292585170341
188 2.93587174348697 73.3949160846744 93.8476953907816
189 2.94889779559118 72.1775414556568 93.0661322645291
190 2.96192384769539 70.9703475086446 92.2845691382766
191 2.9749498997996 69.7733342436376 91.5030060120241
192 2.98797595190381 68.5865016606359 90.7214428857716
193 3.00100200400802 67.4098497596395 89.939879759519
194 3.01402805611222 66.2433785406484 89.1583166332665
195 3.02705410821643 65.0870880036626 88.376753507014
196 3.04008016032064 63.9409781486821 87.5951903807615
197 3.05310621242485 62.805048975707 86.813627254509
198 3.06613226452906 61.679300484737 86.0320641282565
199 3.07915831663327 60.5637326757724 85.250501002004
200 3.09218436873747 59.4583455488131 84.4689378757515
201 3.10521042084168 58.363139103859 83.687374749499
202 3.11823647294589 57.2781133409103 82.9058116232465
203 3.1312625250501 56.2032682599669 82.124248496994
204 3.14428857715431 55.1386038610287 81.3426853707415
205 3.15731462925852 54.0841201440958 80.561122244489
206 3.17034068136273 53.0398171091682 79.7795591182365
207 3.18336673346693 52.005694756246 78.997995991984
208 3.19639278557114 50.981753085329 78.2164328657315
209 3.20941883767535 49.9679920964173 77.434869739479
210 3.22244488977956 48.9644117895109 76.6533066132265
211 3.23547094188377 47.9710121646098 75.871743486974
212 3.24849699398798 46.987793221714 75.0901803607215
213 3.26152304609218 46.0147549608235 74.3086172344689
214 3.27454909819639 45.0518973819382 73.5270541082164
215 3.2875751503006 44.0992204850583 72.7454909819639
216 3.30060120240481 43.1567242701837 71.9639278557114
217 3.31362725450902 42.2244087373143 71.1823647294589
218 3.32665330661323 41.3022738864503 70.4008016032064
219 3.33967935871743 40.3903197175915 69.6192384769539
220 3.35270541082164 39.488546230738 68.8376753507014
221 3.36573146292585 38.5969534258899 68.0561122244489
222 3.37875751503006 37.715541303047 67.2745490981964
223 3.39178356713427 36.8443098622094 66.4929859719439
224 3.40480961923848 35.9832591033771 65.7114228456914
225 3.41783567134269 35.1323890265501 64.9298597194389
226 3.43086172344689 34.2916996317284 64.1482965931864
227 3.4438877755511 33.461190918912 63.3667334669339
228 3.45691382765531 32.6408628881008 62.5851703406814
229 3.46993987975952 31.830715539295 61.8036072144289
230 3.48296593186373 31.0307488724945 61.0220440881764
231 3.49599198396794 30.2409628876993 60.2404809619239
232 3.50901803607214 29.4613575849093 59.4589178356714
233 3.52204408817635 28.6919329641246 58.6773547094188
234 3.53507014028056 27.9326890253453 57.8957915831663
235 3.54809619238477 27.1836257685712 57.1142284569139
236 3.56112224448898 26.4447431938025 56.3326653306613
237 3.57414829659319 25.716041301039 55.5511022044088
238 3.58717434869739 24.9975200902808 54.7695390781563
239 3.6002004008016 24.2891795615279 53.9879759519038
240 3.61322645290581 23.5910197147803 53.2064128256513
241 3.62625250501002 22.903040550038 52.4248496993988
242 3.63927855711423 22.225242067301 51.6432865731463
243 3.65230460921844 21.5576242665692 50.8617234468938
244 3.66533066132265 20.9001871478428 50.0801603206413
245 3.67835671342685 20.2529307111216 49.2985971943888
246 3.69138276553106 19.6158549564058 48.5170340681363
247 3.70440881763527 18.9889598836952 47.7354709418838
248 3.71743486973948 18.37224549299 46.9539078156313
249 3.73046092184369 17.76571178429 46.1723446893788
250 3.7434869739479 17.1693587575954 45.3907815631263
251 3.7565130260521 16.583186412906 44.6092184368738
252 3.76953907815631 16.0071947502219 43.8276553106213
253 3.78256513026052 15.4413837695431 43.0460921843687
254 3.79559118236473 14.8857534708696 42.2645290581163
255 3.80861723446894 14.3403038542014 41.4829659318637
256 3.82164328657315 13.8050349195385 40.7014028056112
257 3.83466933867735 13.2799466668809 39.9198396793587
258 3.84769539078156 12.7650390962285 39.1382765531062
259 3.86072144288577 12.2603122075815 38.3567134268537
260 3.87374749498998 11.7657660009398 37.5751503006012
261 3.88677354709419 11.2814004763033 36.7935871743487
262 3.8997995991984 10.8072156336722 36.0120240480962
263 3.9128256513026 10.3432114730463 35.2304609218437
264 3.92585170340681 9.88938799442573 34.4488977955912
265 3.93887775551102 9.44574519781045 33.6673346693387
266 3.95190380761523 9.01228308320047 32.8857715430862
267 3.96492985971944 8.58900165059579 32.1042084168337
268 3.97795591182365 8.1759008999964 31.3226452905812
269 3.99098196392786 7.77298083140229 30.5410821643287
270 4.00400801603206 7.38024144481349 29.7595190380762
271 4.01703406813627 6.99768274022996 28.9779559118237
272 4.03006012024048 6.62530471765173 28.1963927855711
273 4.04308617234469 6.26310737707881 27.4148296593186
274 4.0561122244489 5.91109071851118 26.6332665330662
275 4.06913827655311 5.56925474194882 25.8517034068136
276 4.08216432865731 5.23759944739178 25.0701402805611
277 4.09519038076152 4.91612483484004 24.2885771543087
278 4.10821643286573 4.60483090429356 23.5070140280561
279 4.12124248496994 4.30371765575238 22.7254509018036
280 4.13426853707415 4.01278508921653 21.9438877755512
281 4.14729458917836 3.73203320468593 21.1623246492986
282 4.16032064128257 3.46146200216063 20.3807615230461
283 4.17334669338677 3.20107148164064 19.5991983967936
284 4.18637274549098 2.95086164312594 18.8176352705411
285 4.19939879759519 2.71083248661652 18.0360721442886
286 4.2124248496994 2.48098401211241 17.2545090180361
287 4.22545090180361 2.26131621961359 16.4729458917836
288 4.23847695390782 2.05182910912005 15.6913827655311
289 4.25150300601202 1.8525226806318 14.9098196392785
290 4.26452905811623 1.66339693414886 14.1282565130261
291 4.27755511022044 1.48445186967121 13.3466933867736
292 4.29058116232465 1.31568748719885 12.565130260521
293 4.30360721442886 1.15710378673179 11.7835671342686
294 4.31663326653307 1.00870076827002 11.0020040080161
295 4.32965931863727 0.87047843181353 10.2204408817635
296 4.34268537074148 0.742436777362338 9.43887775551101
297 4.35571142284569 0.624575804916447 8.65731462925853
298 4.3687374749499 0.51689551447585 7.87575150300604
299 4.38176352705411 0.419395906040538 7.09418837675351
300 4.39478957915832 0.332076979610526 6.31262525050102
301 4.40781563126252 0.254938735185807 5.53106212424854
302 4.42084168336673 0.187981172766376 4.74949899799601
303 4.43386773547094 0.131204292352238 3.96793587174347
304 4.44689378757515 0.0846080939433982 3.18637274549099
305 4.45991983967936 0.0481925775398504 2.40480961923851
306 4.47294589178357 0.0219577431415938 1.62324649298597
307 4.48597194388778 0.00590359074863182 0.841683366733488
308 4.49899799599198 3.01203609624492e-05 0.0601202404810053
309 4.51202404809619 0.00433733197858628 -0.72144288577153
310 4.5250501002004 0.0188252256015027 -1.50300601202401
311 4.53807615230461 0.0434938012297138 -2.28456913827655
312 4.55110220440882 0.078343058863216 -3.06613226452903
313 4.56412825651303 0.123372998502014 -3.84769539078157
314 4.57715430861723 0.178583620146102 -4.62925851703405
315 4.59018036072144 0.243974923795483 -5.41082164328653
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