towhee_ff Version
5
Number of Nonbonded Types
2
Potential Type
6
Cross Term Logical
T
Atom Type Number
1
eam_pair_style
table
table_pair
1 1 499
table_pair_data
  0.0115544107  482671.795
  0.0231088214  479264.412
  0.0346632321  474950.348
  0.0462176428  470371.634
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  1.00523373  171722.884
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  1.08611461  155139.605
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  1.20165871  133414.496
  1.21321312  131364.504
  1.22476754  129335.683
  1.23632195  127328.557
  1.24787636  125342.996
  1.25943077  123378.865
  1.27098518  121436.033
  1.28253959  119514.369
  1.294094  117613.74
  1.30564841  115734.015
  1.31720282  113875.065
  1.32875723  112036.759
  1.34031164  110218.966
  1.35186605  108421.557
  1.36342046  106644.403
  1.37497487  104887.376
  1.38652928  103150.345
  1.3980837  101433.184
  1.40963811  99735.7638
  1.42119252  98057.9568
  1.43274693  96399.6358
  1.44430134  94760.6737
  1.45585575  93140.811
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  1.47896457  89957.684
  1.49051898  88394.5008
  1.50207339  86850.0689
  1.5136278  85324.262
  1.52518221  83816.954
  1.53673662  82328.0192
  1.54829103  80857.3323
  1.55984545  79404.7679
  1.57139986  77970.2014
  1.58295427  76553.5081
  1.59450868  75154.5637
  1.60606309  73773.2442
  1.6176175  72409.4258
  1.62917191  71062.985
  1.64072632  69733.7986
  1.65228073  68421.7437
  1.66383514  67126.6975
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  1.69849837  63342.3082
  1.71005278  62113.849
  1.7216072  60901.8037
  1.73316161  59706.0506
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  1.76782484  56215.331
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  1.79093366  53967.4253
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  1.81404248  51781.7883
  1.82559689  50712.0209
  1.8371513  49657.4615
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  1.86026012  47593.4901
  1.87181453  46583.8403
  1.88336895  45588.9231
  1.89492336  44608.6202
  1.90647777  43642.8135
  1.91803218  42691.3854
  1.92958659  41754.2181
  1.941141  40831.1537
  1.95269541  39922.0573
  1.96424982  39026.8793
  1.97580423  38145.5027
  1.98735864  37277.8109
  1.99891305  36423.6872
  2.01046746  35583.0155
  2.02202187  34755.6797
  2.03357628  33941.5641
  2.0451307  33140.5531
  2.05668511  32352.5313
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  2.07979393  30814.9955
  2.09134834  30065.2519
  2.10290275  29328.0386
  2.11445716  28603.2414
  2.12601157  27890.7463
  2.13756598  27190.4396
  2.14912039  26502.2078
  2.1606748  25825.9376
  2.17222921  25161.5159
  2.18378362  24508.8171
  2.19533803  23867.7283
  2.20689245  23238.1551
  2.21844686  22619.9851
  2.23000127  22013.1061
  2.24155568  21417.4061
  2.25311009  20832.7736
  2.2646645  20259.0968
  2.27621891  19696.2647
  2.28777332  19144.1661
  2.29932773  18602.6902
  2.31088214  18071.7264
  2.32243655  17551.1643
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  4.00938052  198.836901
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eam_pair_style
table
table_pair
 1 2 499
table_pair_data
  0.0115544107  1.13838207E+09
  0.0231088214  549973376.
  0.0346632321  354287555.
  0.0462176428  256752895.
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  5.73098771  0.
  5.74254212  0.
  5.75409653  0.
  5.76565094  0.
eam_dens
 1 500
eam_dens_style
table
eam_dens_data
  0.  26.7379214
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  100.  0.
Mass
207.19
Element
Pb
Bond Pattern
null
Force Field Name
Hoyt2003  
Atom Names
Pb
Pb
Pb
Pb
Atom Type Number
2
eam_pair_style
table
table_pair
 2 2 499
table_pair_data
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  3.89383641  53.8430503
  3.90539082  51.5258284
  3.91694523  49.2976497
  3.92849964  47.1553396
  3.94005405  45.0959496
  3.95160846  43.1195349
  3.96316287  41.2198681
  3.97471728  39.3942014
  3.98627169  37.6398813
  3.99782611  35.9543461
  4.00938052  34.3351222
  4.02093493  32.7813655
  4.03248934  31.2900968
  4.04404375  29.8580371
  4.05559816  28.4830465
  4.06715257  27.163059
  4.07870698  25.89608
  4.09026139  24.6805229
  4.1018158  23.5157772
  4.11337021  22.3983138
  4.12492462  21.3264081
  4.13647903  20.2983952
  4.14803344  19.3126679
  4.15958785  18.3676751
  4.17114227  17.4630304
  4.18269668  16.5964757
  4.19425109  15.7662051
  4.2058055  14.9708782
  4.21735991  14.2092012
  4.22891432  13.4799256
  4.24046873  12.7821994
  4.25202314  12.1152628
  4.26357755  11.4771467
  4.27513196  10.8667732
  4.28668637  10.2831019
  4.29824078  9.72512911
  4.30979519  9.19188629
  4.3213496  8.68318579
  4.33290402  8.19742441
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  4.35601284  7.29093071
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  4.92217896  0.00620057091
  4.93373337  0.00208370354
  4.94528778  0.000172609213
  4.95684219  0.
  4.9683966  0.
  4.97995102  0.
  4.99150543  0.
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  5.10704953  0.
  5.11860394  0.
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  5.18793041  0.
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eam_dens
 2 500
eam_dens_style
table
eam_dens_data
  0.  0.
  0.0115544107  0.0767835531
  0.0231088214  0.796805504
  0.0346632321  3.223998
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  0.080880875  54.0353421
  0.0924352857  81.8522818
  0.103989696  116.122713
  0.115544107  156.631377
  0.127098518  202.934459
  0.138652928  254.403254
  0.150207339  310.323347
  0.16176175  370.016782
  0.173316161  432.115543
  0.184870571  495.675115
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  1.00523373  95.2182001
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  1.02834255  83.6637677
  1.03989696  78.4316851
  1.05145137  73.571142
  1.06300579  69.0265182
  1.0745602  64.7769969
  1.08611461  60.8051916
  1.09766902  57.0945111
  1.10922343  53.6291471
  1.12077784  50.4068304
  1.13233225  47.411099
  1.14388666  44.6150968
  1.15544107  42.0061715
  1.16699548  39.5723502
  1.17854989  37.3023159
  1.1901043  35.1865131
  1.20165871  33.2283773
  1.21321312  31.4018757
  1.22476754  29.6982223
  1.23632195  28.1091553
  1.24787636  26.6269124
  1.25943077  25.2442071
  1.27098518  23.9606725
  1.28253959  22.7661371
  1.294094  21.6507317
  1.30564841  20.6089483
  1.31720282  19.6356369
  1.32875723  18.7259851
  1.34031164  17.8767976
  1.35186605  17.0872661
  1.36342046  16.3480279
  1.37497487  15.6555102
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  1.3980837  14.3975531
  1.40963811  13.826132
  1.42119252  13.2923672
  1.43274693  12.7912946
  1.44430134  12.3196973
  1.45585575  11.8754691
  1.46741016  11.4566549
  1.47896457  11.0614403
  1.49051898  10.6889443
  1.50207339  10.3382008
  1.5136278  10.0060865
  1.52518221  9.69129025
  1.53673662  9.39259715
  1.54829103  9.10888225
  1.55984545  8.83910405
  1.57139986  8.58358773
  1.58295427  8.3401285
  1.59450868  8.1077675
  1.60606309  7.88575795
  1.6176175  7.67340906
  1.62917191  7.47008197
  1.64072632  7.27562112
  1.65228073  7.08946302
  1.66383514  6.91058708
  1.67538955  6.73853648
  1.68694396  6.57288874
  1.69849837  6.41325311
  1.71005278  6.25928947
  1.7216072  6.11121372
  1.73316161  5.96808452
  1.74471602  5.82962183
  1.75627043  5.69556639
  1.76782484  5.56567809
  1.77937925  5.43973449
  1.79093366  5.31778153
  1.80248807  5.19951364
  1.81404248  5.08458164
  1.82559689  4.97282442
  1.8371513  4.86409229
  1.84870571  4.75824612
  1.86026012  4.65520863
  1.87181453  4.55505271
  1.88336895  4.45739867
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  1.90647777  4.26919283
  1.91803218  4.17845583
  1.92958659  4.08984929
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  1.96424982  3.83665539
  1.97580423  3.75603057
  1.98735864  3.67717867
  1.99891305  3.6000433
  2.01046746  3.52462869
  2.02202187  3.45095414
  2.03357628  3.37883575
  2.0451307  3.3082292
  2.05668511  3.23909247
  2.06823952  3.17138561
  2.07979393  3.10507065
  2.09134834  3.04024724
  2.10290275  2.97675928
  2.11445716  2.91455299
  2.12601157  2.85359724
  2.13756598  2.79386221
  2.14912039  2.73531931
  2.1606748  2.67799959
  2.17222921  2.62189056
  2.18378362  2.56688924
  2.19533803  2.51297138
  2.20689245  2.46011362
  2.21844686  2.40829336
  2.23000127  2.35748886
  2.24155568  2.30779428
  2.25311009  2.25906955
  2.2646645  2.21129499
  2.27621891  2.16445148
  2.28777332  2.11852048
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  2.31088214  2.02938213
  2.32243655  1.98618145
  2.33399096  1.94382055
  2.34554537  1.90228333
  2.35709978  1.86155409
  2.3686542  1.82161749
  2.38020861  1.78247071
  2.39176302  1.7441635
  2.40331743  1.70660212
  2.41487184  1.66977271
  2.42642625  1.63366169
  2.43798066  1.5982558
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  2.46108948  1.52956304
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  98.7975952 -291590.054
  98.997996 -292250.
  99.1983968 -292910.467
  99.3987976 -293571.452
  99.5991984 -294232.954
  99.7995992 -294894.972
  100. -295557.504
Mass
63.55
Element
Cu
Bond Pattern
null
Force Field Name
Hoyt2003
Atom Names
Cu
Cu
Cu
Cu
Number of Bonded Terms
 0
Number of Angle Terms
 0
Number of Torsion Terms
 0
Number of Improper Terms
 0
Number of Angle-Angle Terms
 0
