# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Kim-E-H-Shin-Y-H-Lee-B-J--Ge # implementation = 2008--Kim-E-H--Ge--LAMMPS--ipr1 # composition = Ge # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 3.449050361e+02 nan nan nan nan 0.74 nan nan nan nan nan 3.256879167e+02 nan nan nan nan 0.76 nan nan nan nan nan 3.074593518e+02 nan nan 3.680818675e+02 nan 0.78 nan nan nan nan nan 2.901708817e+02 nan nan 3.451787762e+02 nan 0.80 nan nan nan nan nan 2.737763470e+02 nan nan 3.235840456e+02 nan 0.82 nan nan nan nan nan 2.582317815e+02 nan nan 3.032248537e+02 nan 0.84 nan 9.990848358e+02 nan nan nan 2.434953105e+02 3.693987592e+02 nan 2.840323914e+02 5.853571505e+02 0.86 nan 9.416385927e+02 nan nan nan 2.295270540e+02 3.472283118e+02 nan 2.659417151e+02 5.553221217e+02 0.88 nan 8.873765292e+02 nan nan nan 2.162890332e+02 3.262635748e+02 nan 2.488916124e+02 5.267372243e+02 0.90 nan 8.361225519e+02 nan nan nan 2.037450830e+02 3.064493917e+02 nan 2.328244771e+02 4.995348402e+02 0.92 nan 7.877104734e+02 8.115949555e+02 nan nan 1.918607665e+02 2.877349876e+02 9.807243009e+02 2.176861888e+02 4.736504359e+02 0.94 9.773398392e+02 7.419834548e+02 7.691934359e+02 9.236437305e+02 8.699476218e+02 1.806032954e+02 2.700735946e+02 9.302176105e+02 2.034259913e+02 4.490224235e+02 0.96 9.279629734e+02 6.987934764e+02 7.288900767e+02 8.790973736e+02 8.302317738e+02 1.699414523e+02 2.534219830e+02 8.821754772e+02 1.899963668e+02 4.255920284e+02 0.98 8.809490031e+02 6.580008367e+02 6.905840768e+02 8.364914100e+02 7.920338169e+02 1.598455177e+02 2.377399141e+02 8.364813300e+02 1.773528996e+02 4.033031628e+02 1.00 8.361883513e+02 6.194736809e+02 6.541793962e+02 7.957512803e+02 7.553142092e+02 1.502872002e+02 2.229895336e+02 7.930240037e+02 1.654541287e+02 3.821023048e+02 1.02 7.935764218e+02 5.830875592e+02 6.195845330e+02 7.568048369e+02 7.200332520e+02 1.412395690e+02 2.091347351e+02 7.516974917e+02 1.542613861e+02 3.619383828e+02 1.04 7.530133760e+02 5.487250201e+02 5.867123120e+02 7.195822488e+02 6.861511216e+02 1.326769909e+02 1.961405254e+02 7.124007099e+02 1.437386224e+02 3.427626650e+02 1.06 7.144039197e+02 5.162752399e+02 5.554796841e+02 6.840159211e+02 6.536279226e+02 1.245750690e+02 1.839724296e+02 6.750372708e+02 1.338522231e+02 3.245286540e+02 1.08 6.776570989e+02 4.856336937e+02 5.258075361e+02 6.500404278e+02 6.224237566e+02 1.169105850e+02 1.725959674e+02 6.395152691e+02 1.245708169e+02 3.071919864e+02 1.10 6.426861050e+02 4.567018680e+02 4.976205123e+02 6.175924526e+02 5.924988002e+02 1.096614435e+02 1.619762323e+02 6.057470757e+02 1.158650825e+02 2.907103358e+02 1.12 6.094080887e+02 4.293870113e+02 4.708468482e+02 5.866107378e+02 5.638133869e+02 1.028066196e+02 1.520775946e+02 5.736491420e+02 1.077075528e+02 2.750433213e+02 1.14 5.777439822e+02 4.036019108e+02 4.454182179e+02 5.570360372e+02 5.363280921e+02 9.632610803e+01 1.428635397e+02 5.431418136e+02 1.000724167e+02 2.601524198e+02 1.16 5.476183293e+02 3.792646777e+02 4.212695939e+02 5.288110722e+02 5.100038151e+02 9.020087564e+01 1.342966440e+02 5.141491524e+02 9.293531159e+01 2.460008819e+02 1.18 5.189591244e+02 3.562985137e+02 3.983391200e+02 5.018804920e+02 4.848018596e+02 8.441281519e+01 1.263386772e+02 4.865987693e+02 8.627310105e+01 2.325536522e+02 1.20 4.916976586e+02 3.346314333e+02 3.765679924e+02 4.761908341e+02 4.606840096e+02 7.894470173e+01 1.189508165e+02 4.604216670e+02 8.006362968e+01 2.197772939e+02 1.22 4.657683758e+02 3.141959194e+02 3.559003467e+02 4.516904893e+02 4.376126028e+02 7.378015095e+01 1.120939473e+02 4.355520944e+02 7.428545445e+01 2.076399172e+02 1.24 4.411087380e+02 2.949285021e+02 3.362831418e+02 4.283296688e+02 4.155505996e+02 6.890357936e+01 1.057290274e+02 4.119274155e+02 6.891755882e+01 1.961111136e+02 1.26 4.176591028e+02 2.767692642e+02 3.176660360e+02 4.060603774e+02 3.944616521e+02 6.430016637e+01 9.981748834e+01 3.894879941e+02 6.393906607e+01 1.851618945e+02 1.28 3.953626139e+02 2.596612979e+02 3.000012487e+02 3.848363936e+02 3.743101734e+02 5.995581808e+01 9.432165206e+01 3.681770963e+02 5.932897736e+01 1.747646384e+02 1.30 3.741651078e+02 2.435501477e+02 2.832434074e+02 3.646132590e+02 3.550614101e+02 5.585713287e+01 8.920514137e+01 3.479408122e+02 5.506596579e+01 1.648930444e+02 1.32 3.540150369e+02 2.283832875e+02 2.673493791e+02 3.453482787e+02 3.366815205e+02 5.199136839e+01 8.443326672e+01 3.287279928e+02 5.112825739e+01 1.555220948e+02 1.34 3.348634096e+02 2.141096785e+02 2.522780952e+02 3.270005331e+02 3.191376567e+02 4.834641027e+01 7.997337337e+01 3.104901999e+02 4.749362434e+01 1.466280260e+02 1.36 3.166637430e+02 2.006794518e+02 2.379903789e+02 3.095308967e+02 3.023980504e+02 4.491074218e+01 7.579513478e+01 2.931816564e+02 4.413950293e+01 1.381883054e+02 1.38 2.993720242e+02 1.880437429e+02 2.244487851e+02 2.929020596e+02 2.864320950e+02 4.167341729e+01 7.187077903e+01 2.767591865e+02 4.104323357e+01 1.301816129e+02 1.40 2.829466664e+02 1.761546885e+02 2.116174646e+02 2.770785409e+02 2.712104154e+02 3.862403110e+01 6.817523724e+01 2.611821294e+02 3.818240202e+01 1.225878197e+02 1.42 2.673484503e+02 1.649655757e+02 1.994620580e+02 2.620266810e+02 2.567049117e+02 3.575269548e+01 6.468620499e+01 2.464122108e+02 3.553524627e+01 1.153879599e+02 1.44 2.525404346e+02 1.544311142e+02 1.879496207e+02 2.477145995e+02 2.428887645e+02 3.305001401e+01 6.138411215e+01 2.324133610e+02 3.308108193e+01 1.085641857e+02 1.46 2.384878210e+02 1.445077862e+02 1.770485746e+02 2.341121045e+02 2.297363881e+02 3.050705834e+01 5.825200151e+01 2.191514720e+02 3.080069539e+01 1.020997015e+02 1.48 2.251577667e+02 1.351542235e+02 1.667286774e+02 2.211905443e+02 2.172233219e+02 2.811534577e+01 5.527532331e+01 2.065940967e+02 2.867665788e+01 9.597866992e+01 1.50 2.125191381e+02 1.263315611e+02 1.569609962e+02 2.089225979e+02 2.053260577e+02 2.586681782e+01 5.244165983e+01 1.947101012e+02 2.669352462e+01 9.018608996e+01 1.52 2.005422131e+02 1.180037249e+02 1.477178731e+02 1.972820109e+02 1.940218087e+02 2.375381983e+01 4.974040027e+01 1.834692920e+02 2.483789999e+01 8.470764818e+01 1.54 1.891983438e+02 1.101376249e+02 1.389728721e+02 1.862432888e+02 1.832882338e+02 2.176908149e+01 4.716239100e+01 1.728420472e+02 2.309836856e+01 7.952955098e+01 1.56 1.784596037e+02 1.027032411e+02 1.307006993e+02 1.757813723e+02 1.731031408e+02 1.990569829e+01 4.469958812e+01 1.627989847e+02 2.146530952e+01 7.463834867e+01 1.58 1.682984473e+02 9.567360214e+01 1.228770988e+02 1.658713220e+02 1.634441968e+02 1.815711388e+01 4.234473842e+01 1.533107007e+02 1.993062581e+01 7.002076564e+01 1.60 1.586874123e+02 8.902466836e+01 1.154787293e+02 1.564880449e+02 1.542886774e+02 1.651710318e+01 4.009111080e+01 1.443476075e+02 1.848742653e+01 6.566355224e+01 1.62 1.495988968e+02 8.273513623e+01 1.084830345e+02 1.476060915e+02 1.456132863e+02 1.497975637e+01 3.793229415e+01 1.358798917e+02 1.712970254e+01 6.155337360e+01 1.64 1.410050341e+02 7.678618287e+01 1.018681251e+02 1.391995519e+02 1.373940697e+02 1.353946354e+01 3.586206969e+01 1.278776012e+02 1.585203008e+01 5.767674785e+01 1.66 1.328776849e+02 7.116117064e+01 9.561268927e+01 1.312420638e+02 1.296064426e+02 1.219090019e+01 3.387435808e+01 1.203108564e+02 1.464932853e+01 5.402004227e+01 1.68 1.251885492e+02 6.584532884e+01 8.969594759e+01 1.237069418e+02 1.222253343e+02 1.092901328e+01 3.196323379e+01 1.131501691e+02 1.351668779e+01 5.056953007e+01 1.70 1.179093943e+02 6.082542942e+01 8.409766341e+01 1.165674200e+02 1.152254456e+02 9.749008014e+00 3.012299357e+01 1.063668386e+02 1.244926966e+01 4.731150468e+01 1.72 1.110123792e+02 5.608947098e+01 7.879821072e+01 1.097969893e+02 1.085815995e+02 8.646335261e+00 2.834826170e+01 9.993338856e+01 1.144227836e+01 4.423244229e+01 1.74 1.044704461e+02 5.162638476e+01 7.377869410e+01 1.033698018e+02 1.022691575e+02 7.616679508e+00 2.663411291e+01 9.382400070e+01 1.049098843e+01 4.131919820e+01 1.76 9.825774395e+01 4.742577322e+01 6.902110701e+01 9.726110483e+01 9.626446570e+01 6.655947437e+00 2.497619418e+01 8.801490539e+01 9.590813595e+00 3.855921888e+01 1.78 9.235004406e+01 4.347768967e+01 6.450850853e+01 9.144766701e+01 9.054528996e+01 5.760257025e+00 2.337082917e+01 8.248469157e+01 8.737398633e+00 3.594075009e+01 1.80 8.672510844e+01 3.977246322e+01 6.022519571e+01 8.590815589e+01 8.509120334e+01 4.925927165e+00 2.181509213e+01 7.721450917e+01 7.926716944e+00 3.345302161e+01 1.82 8.136297871e+01 3.630057014e+01 5.615684893e+01 8.062343507e+01 7.988389142e+01 4.149467772e+00 2.030684299e+01 7.218814858e+01 7.155158647e+00 3.108639190e+01 1.84 7.624615986e+01 3.305254867e+01 5.229063112e+01 7.557675567e+01 7.490735149e+01 3.427570373e+00 1.884472019e+01 6.739199432e+01 6.419597815e+00 2.883244043e+01 1.86 7.135968584e+01 3.001895206e+01 4.861522779e+01 7.075382888e+01 7.014797192e+01 2.757099137e+00 1.742809197e+01 6.281486268e+01 5.717431584e+00 2.668400075e+01 1.88 6.669106519e+01 2.719033272e+01 4.512082205e+01 6.614277782e+01 6.559449046e+01 2.135082332e+00 1.605697121e+01 5.844774246e+01 5.046588185e+00 2.463513366e+01 1.90 6.223011657e+01 2.455724960e+01 4.179900658e+01 6.173397893e+01 6.123784128e+01 1.558704198e+00 1.473190166e+01 5.428346547e+01 4.405504849e+00 2.268104531e+01 1.92 5.796871335e+01 2.211029159e+01 3.864264108e+01 5.751981165e+01 5.707090995e+01 1.025297196e+00 1.345382526e+01 5.031633615e+01 3.793079646e+00 2.081795977e+01 1.94 5.390046250e+01 1.984011052e+01 3.564566854e+01 5.349434216e+01 5.308822182e+01 5.323346446e-01 1.222394090e+01 4.654174950e+01 3.208603462e+00 1.904295881e+01 1.96 5.002034622e+01 1.773745859e+01 3.280290680e+01 4.965296928e+01 4.928559234e+01 7.742369292e-02 1.104356445e+01 4.295582352e+01 2.651679417e+00 1.735380296e+01 1.98 4.632435421e+01 1.579322670e+01 3.010983186e+01 4.599206066e+01 4.565976711e+01 -3.417013576e-01 9.913998904e+00 3.955506691e+01 2.122137090e+00 1.574874798e+01 2.00 4.280913123e+01 1.399848117e+01 2.756236840e+01 4.250860388e+01 4.220807653e+01 -7.271854156e-01 8.836420998e+00 3.633609651e+01 1.619948253e+00 1.422636885e+01 2.02 3.947165959e+01 1.234449733e+01 2.515669985e+01 3.919989225e+01 3.892812490e+01 -1.081058654e+00 7.811789070e+00 3.329541267e+01 1.145149534e+00 1.278540134e+01 2.04 3.630899039e+01 1.082278949e+01 2.288910695e+01 3.606325887e+01 3.581752736e+01 -1.405242275e+00 6.840774246e+00 3.042923483e+01 6.977758720e-01 1.142460782e+01 2.06 3.331803059e+01 9.425136642e+00 2.075583977e+01 3.309586654e+01 3.287370248e+01 -1.701553992e+00 5.923715242e+00 2.773339473e+01 2.778070633e-01 1.014267112e+01 2.08 3.049538821e+01 8.143604205e+00 1.875302481e+01 3.029455518e+01 3.009372215e+01 -1.971713253e+00 5.060595353e+00 2.520328141e+01 -1.148718145e-01 8.938117263e+00 2.10 2.783727257e+01 6.970561722e+00 1.687660566e+01 2.765574447e+01 2.747421638e+01 -2.217346205e+00 4.251039025e+00 2.283382964e+01 -4.804964708e-01 7.809265943e+00 2.12 2.533944413e+01 5.898696729e+00 1.512231388e+01 2.517538556e+01 2.501132700e+01 -2.439990422e+00 3.494324637e+00 2.061954298e+01 -8.194372418e-01 6.754205549e+00 2.14 2.299720556e+01 4.921024966e+00 1.348566519e+01 2.284895403e+01 2.270070250e+01 -2.641099402e+00 2.789409858e+00 1.855454205e+01 -1.132202526e+00 5.770789000e+00 2.16 2.080542569e+01 4.030897124e+00 1.196197561e+01 2.067147544e+01 2.053752519e+01 -2.822046846e+00 2.134965930e+00 1.663262972e+01 -1.419433908e+00 4.856645886e+00 2.18 1.875858729e+01 3.222002313e+00 1.054639204e+01 1.863757463e+01 1.851656197e+01 -2.984130727e+00 1.529417537e+00 1.484736570e+01 -1.681895090e+00 4.009206572e+00 2.20 1.685085073e+01 2.488368508e+00 9.233932307e+00 1.674154077e+01 1.663223081e+01 -3.128577163e+00 9.709853522e-01 1.319214468e+01 -1.920456626e+00 3.225734238e+00 2.22 1.507612657e+01 1.824360189e+00 8.019530347e+00 1.497740114e+01 1.487867571e+01 -3.256544100e+00 4.577289088e-01 1.166027308e+01 -2.136078176e+00 2.503361345e+00 2.24 1.342815125e+01 1.224673489e+00 6.898082821e+00 1.333899795e+01 1.324984465e+01 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