# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Ko-W-S-Shim-J-H-Lee-B-J--Al-H # implementation = 2011--Ko-W-S--Al-H--LAMMPS--ipr1 # composition = H # 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 nan nan nan nan nan 0.74 nan nan nan nan nan 2.000408027e+01 nan nan nan nan 0.76 nan nan nan nan nan 1.787834177e+01 nan nan nan nan 0.78 nan nan nan nan nan 1.596066869e+01 nan nan 2.339807260e+01 nan 0.80 nan nan nan nan nan 1.423167681e+01 nan nan 2.083634069e+01 nan 0.82 nan nan nan nan nan 1.267372924e+01 nan nan 1.853837426e+01 nan 0.84 nan nan nan nan nan 1.127078252e+01 nan nan 1.647792903e+01 nan 0.86 nan 3.778339156e+01 nan nan nan 1.000824618e+01 nan nan 1.463132109e+01 2.341391737e+01 0.88 nan 3.381831696e+01 nan nan nan 8.872854318e+00 1.923611904e+01 nan 1.297717975e+01 2.106572522e+01 0.90 nan 3.025512861e+01 nan nan nan 7.852548430e+00 1.724825523e+01 nan 1.149622430e+01 1.893969572e+01 0.92 nan 2.705402556e+01 nan nan nan 6.936370348e+00 1.545323056e+01 nan 1.017106204e+01 1.701558822e+01 0.94 nan 2.417908532e+01 2.614052959e+01 nan nan 6.114364498e+00 1.383307040e+01 nan 8.986005773e+00 1.527495800e+01 0.96 4.666739568e+01 2.159789024e+01 2.359857445e+01 4.666739568e+01 4.666739568e+01 5.377488685e+00 1.237143014e+01 4.246025478e+01 7.926908792e+00 1.370100003e+01 0.98 4.234293393e+01 1.928118967e+01 2.129247979e+01 4.234293393e+01 4.234293393e+01 4.717532643e+00 1.105345031e+01 3.843829845e+01 6.981015783e+00 1.227840609e+01 1.00 3.840690076e+01 1.720259441e+01 1.920104237e+01 3.840690076e+01 3.840690076e+01 4.127043714e+00 9.865624383e+00 3.478530244e+01 6.136827992e+00 1.099323418e+01 1.02 3.482518429e+01 1.533830024e+01 1.730492211e+01 3.482518429e+01 3.482518429e+01 3.599259005e+00 8.795678161e+00 3.146818856e+01 5.383981374e+00 9.832789070e+00 1.04 3.156661767e+01 1.366683804e+01 1.558648111e+01 3.156661767e+01 3.156661767e+01 3.128043504e+00 7.832459719e+00 2.845679334e+01 4.713136460e+00 8.785513257e+00 1.06 2.860272821e+01 1.216884779e+01 1.402963648e+01 2.860272821e+01 2.860272821e+01 2.707833617e+00 6.965839051e+00 2.572361459e+01 4.115878816e+00 7.840887170e+00 1.08 2.590750766e+01 1.082687426e+01 1.261972569e+01 2.590750766e+01 2.590750766e+01 2.333585670e+00 6.186616522e+00 2.324357985e+01 3.584629091e+00 6.989338065e+00 1.10 2.345720178e+01 9.625182217e+00 1.134338341e+01 2.345720178e+01 2.345720178e+01 2.000728941e+00 5.486439392e+00 2.099383469e+01 3.112561702e+00 6.222156747e+00 1.12 2.123011783e+01 8.549589451e+00 1.018842889e+01 2.123011783e+01 2.123011783e+01 1.705122836e+00 4.857725699e+00 1.895354931e+01 2.693531375e+00 5.531421507e+00 1.14 1.920644819e+01 7.587315814e+00 9.143762990e+00 1.920644819e+01 1.920644819e+01 1.443017853e+00 4.293594867e+00 1.710374176e+01 2.322006760e+00 4.909928630e+00 1.16 1.736810892e+01 6.726846757e+00 8.199274012e+00 1.736810892e+01 1.736810892e+01 1.211019987e+00 3.787804439e+00 1.542711647e+01 1.993010446e+00 4.351128933e+00 1.18 1.569859206e+01 5.957810024e+00 7.345751587e+00 1.569859206e+01 1.569859206e+01 1.006058305e+00 3.334692422e+00 1.390791666e+01 1.702064761e+00 3.849069798e+00 1.20 1.418283033e+01 5.270864193e+00 6.574807994e+00 1.418283033e+01 1.418283033e+01 8.253553865e-01 2.929124734e+00 1.253178958e+01 1.445142807e+00 3.398342248e+00 1.22 1.280707336e+01 4.657597987e+00 5.878806214e+00 1.280707336e+01 1.280707336e+01 6.664004041e-01 2.566447320e+00 1.128566335e+01 1.218624235e+00 2.994032624e+00 1.24 1.155877443e+01 4.110439289e+00 5.250794186e+00 1.155877443e+01 1.155877443e+01 5.269245990e-01 2.242442527e+00 1.015763453e+01 1.019255282e+00 2.631678475e+00 1.26 1.042648682e+01 3.622572942e+00 4.684444718e+00 1.042648682e+01 1.042648682e+01 4.048789491e-01 1.953289360e+00 9.136865355e+00 8.441126885e-01 2.307228293e+00 1.28 9.399768917e+00 3.187866499e+00 4.174000595e+00 9.399768917e+00 9.399768917e+00 2.984138376e-01 1.695527283e+00 8.213489948e+00 6.905711029e-01 2.017004769e+00 1.30 8.469097520e+00 2.800803165e+00 3.714224412e+00 8.469097520e+00 8.469097520e+00 2.058605447e-01 1.466023256e+00 7.378528679e+00 5.562736523e-01 1.757671269e+00 1.32 7.625788403e+00 2.456421222e+00 3.300352756e+00 7.625788403e+00 7.625788403e+00 1.257144024e-01 1.261941715e+00 6.623809944e+00 4.391053658e-01 1.526201238e+00 1.34 6.861923725e+00 2.150259338e+00 2.928054352e+00 6.861923725e+00 6.861923725e+00 5.661946797e-02 1.080717245e+00 5.941898762e+00 3.371691801e-01 1.319850301e+00 1.36 6.170285611e+00 1.878307186e+00 2.593391830e+00 6.170285611e+00 6.170285611e+00 -2.645418640e-03 9.200297032e-01 5.326031600e+00 2.487642793e-01 1.136130806e+00 1.38 5.544295417e+00 1.636960861e+00 2.292786821e+00 5.544295417e+00 5.544295417e+00 -5.317931530e-02 7.777815826e-01 4.770056872e+00 1.723665432e-01 9.727886194e-01 1.40 4.977958176e+00 1.422982626e+00 2.022988085e+00 4.977958176e+00 4.977958176e+00 -9.597070757e-02 6.520774073e-01 4.268380644e+00 1.066109025e-01 8.277819630e-01 1.42 4.465811817e+00 1.233464602e+00 1.781042405e+00 4.465811817e+00 4.465811817e+00 -1.319079889e-01 5.412049928e-01 3.815917078e+00 5.027541597e-02 6.992621216e-01 1.44 4.002880731e+00 1.065795980e+00 1.564268034e+00 4.002880731e+00 4.002880731e+00 -1.617889850e-01 4.436183975e-01 3.408043214e+00 2.266904420e-03 5.855558623e-01 1.46 3.584633315e+00 9.176334417e-01 1.370230448e+00 3.584633315e+00 3.584633315e+00 -1.863296071e-01 3.579224178e-01 3.040557719e+00 -3.839200919e-02 4.851494107e-01 1.48 3.206943172e+00 7.868744806e-01 1.196720221e+00 3.206943172e+00 3.206943172e+00 -2.061717126e-01 2.828584905e-01 2.709643246e+00 -7.257458882e-02 3.966738517e-01 1.50 2.866053646e+00 6.716333264e-01 1.041732842e+00 2.866053646e+00 2.866053646e+00 -2.218902414e-01 2.172918757e-01 2.411832106e+00 -1.010605268e-01 3.188918297e-01 1.52 2.558545407e+00 5.702192349e-01 9.034502983e-01 2.558545407e+00 2.558545407e+00 -2.339996955e-01 1.602000082e-01 2.143974954e+00 -1.245454484e-01 2.506854366e-01 1.54 2.281306835e+00 4.811169115e-01 7.802242785e-01 2.281306835e+00 2.281306835e+00 -2.429600181e-01 1.106619115e-01 1.903212234e+00 -1.436494795e-01 1.910451813e-01 1.56 2.031506956e+00 4.029688586e-01 6.705608510e-01 2.031506956e+00 2.031506956e+00 -2.491819279e-01 6.784858032e-02 1.686948137e+00 -1.589249683e-01 1.390599479e-01 1.58 1.806570724e+00 3.345594627e-01 5.731064964e-01 1.806570724e+00 1.806570724e+00 -2.530317557e-01 3.101424541e-02 1.492826869e+00 -1.708634438e-01 9.390785633e-02 1.60 1.604156437e+00 2.748006523e-01 4.866353717e-01 1.604156437e+00 1.604156437e+00 -2.548358304e-01 -5.115596678e-04 1.318711000e+00 -1.799018833e-01 5.484794433e-02 1.62 1.422135110e+00 2.227189736e-01 4.100377002e-01 1.422135110e+00 1.422135110e+00 -2.548844532e-01 -2.733120063e-02 1.162661744e+00 -1.864283583e-01 2.121259979e-02 1.64 1.258571637e+00 1.774439447e-01 3.423091915e-01 1.258571637e+00 1.258571637e+00 -2.534354985e-01 -4.998547986e-02 1.022920979e+00 -1.907871176e-01 -7.599322799e-03 1.66 1.111707598e+00 1.381975664e-01 2.825413992e-01 1.111707598e+00 1.111707598e+00 -2.507176746e-01 -6.895956872e-02 8.978948614e-01 -1.932831634e-01 -3.212876241e-02 1.68 9.799455468e-01 1.042848746e-01 2.299129378e-01 9.799455468e-01 9.799455468e-01 -2.469334752e-01 -8.468838929e-02 7.861389053e-01 -1.941863692e-01 -5.286214281e-02 1.70 8.618346830e-01 7.508543326e-02 1.836814805e-01 8.618346830e-01 8.618346830e-01 -2.422618513e-01 -9.756149552e-02 6.863443803e-01 -1.937351845e-01 -7.023654577e-02 1.72 7.560577641e-01 5.004567614e-02 1.431764733e-01 7.560577641e-01 7.560577641e-01 -2.368606260e-01 -1.079274989e-01 5.973259273e-01 -1.921399668e-01 -8.464441190e-02 1.74 6.614191658e-01 2.867201411e-02 1.077925002e-01 6.614191658e-01 6.614191658e-01 -2.308686792e-01 -1.160980799e-01 5.180102794e-01 -1.895859772e-01 -9.643781109e-02 1.76 5.768339862e-01 1.052463264e-02 7.698324279e-02 5.768339862e-01 5.768339862e-01 -2.244079214e-01 -1.223516236e-01 4.474259905e-01 -1.862360732e-01 -1.059323211e-01 1.78 5.013181051e-01 -4.788088025e-03 5.025598380e-02 5.013181051e-01 5.013181051e-01 -2.175850760e-01 -1.269365123e-01 3.846940845e-01 -1.822331267e-01 -1.134105492e-01 1.80 4.339791156e-01 -1.761459132e-02 2.716660446e-02 4.339791156e-01 4.339791156e-01 -2.104932887e-01 -1.300741085e-01 3.290195436e-01 -1.777021974e-01 -1.191253286e-01 1.82 3.740080537e-01 -2.826465675e-02 7.315034057e-03 3.740080537e-01 3.740080537e-01 -2.032135799e-01 -1.319614539e-01 2.796835611e-01 -1.727524826e-01 -1.233026186e-01 1.84 3.206718559e-01 -3.701345631e-02 -9.658889054e-03 3.206718559e-01 3.206718559e-01 -1.958161540e-01 -1.327737135e-01 2.360364926e-01 -1.674790670e-01 -1.261441362e-01 1.86 2.733064824e-01 -4.410519980e-02 -2.407918104e-02 2.733064824e-01 2.733064824e-01 -1.883615790e-01 -1.326663856e-01 1.974914418e-01 -1.619644924e-01 -1.278297416e-01 1.88 2.313106485e-01 -4.975640958e-02 -3.623713396e-02 2.313106485e-01 2.313106485e-01 -1.809018503e-01 -1.317773006e-01 1.635184271e-01 -1.562801647e-01 -1.285196007e-01 1.90 1.941401103e-01 -5.415886210e-02 -4.639442536e-02 1.941401103e-01 1.941401103e-01 -1.734813466e-01 -1.302284281e-01 1.336390755e-01 -1.504876148e-01 -1.283561457e-01 1.92 1.613024578e-01 -5.748222892e-02 -5.478594370e-02 1.613024578e-01 1.613024578e-01 -1.661376908e-01 -1.281275095e-01 1.074217983e-01 -1.446396271e-01 -1.274658496e-01 1.94 1.323523705e-01 -5.987644678e-02 -6.162235490e-02 1.323523705e-01 1.323523705e-01 -1.589025238e-01 -1.255695328e-01 8.447740469e-02 -1.387812505e-01 -1.259608343e-01 1.96 1.068872956e-01 -6.147384455e-02 -6.709243302e-02 1.068872956e-01 1.068872956e-01 -1.518021986e-01 -1.226380640e-01 6.445511554e-02 -1.329507019e-01 -1.239403254e-01 1.98 8.454351137e-02 -6.239105100e-02 -7.136517622e-02 8.454351137e-02 8.454351137e-02 -1.448584045e-01 -1.194064485e-01 4.703894042e-02 -1.271801743e-01 -1.214919689e-01 2.00 6.499254307e-02 -6.273070493e-02 -7.459172713e-02 6.499254307e-02 6.499254307e-02 -1.380887255e-01 -1.159388948e-01 3.194438626e-02 -1.214965581e-01 -1.186930214e-01 2.02 4.793789922e-02 -6.258298801e-02 -7.690711516e-02 4.793789922e-02 4.793789922e-02 -1.315071418e-01 -1.122914515e-01 1.891546764e-02 -1.159220856e-01 -1.156114267e-01 2.04 3.311210136e-02 -6.202699828e-02 -7.843183683e-02 3.311210136e-02 3.311210136e-02 -1.251244775e-01 -1.085128876e-01 7.721991701e-03 -1.104749052e-01 -1.123067879e-01 2.06 2.027398081e-02 -6.113197977e-02 -7.927328866e-02 2.027398081e-02 2.027398081e-02 -1.189488017e-01 -1.046454851e-01 -1.842906860e-03 -1.051695934e-01 -1.088312457e-01 2.08 9.206219165e-03 -5.995842320e-02 -7.952706591e-02 9.206219165e-03 9.206219166e-03 -1.129857867e-01 -1.007257524e-01 -9.965003324e-03 -1.000176108e-01 -1.052302711e-01 2.10 -2.868888814e-04 -5.855905097e-02 -7.927813931e-02 -2.868888814e-04 -2.868888813e-04 -1.072390269e-01 -9.678506662e-02 -1.681101339e-02 -9.502770725e-02 -1.015433803e-01 2.12 -8.381470085e-03 -5.697969769e-02 -7.860192085e-02 -8.381470086e-03 -8.381470085e-03 -1.017103234e-01 -9.285024971e-02 -2.253043529e-02 -9.020628222e-02 -9.780477958e-02 2.14 -1.523592243e-02 -5.526009726e-02 -7.756522870e-02 -1.523592243e-02 -1.523592243e-02 -9.639993768e-02 -8.894408719e-02 -2.725722048e-02 -8.555770448e-02 -9.404394621e-02 2.16 -2.099259648e-02 -5.343458615e-02 -7.622716050e-02 -2.099259648e-02 -2.099259648e-02 -9.130681580e-02 -8.508579308e-02 -3.111128865e-02 -8.108459557e-02 -9.028615157e-02 2.18 -2.577932332e-02 -5.153273095e-02 -7.463988329e-02 -2.577932332e-02 -2.577932332e-02 -8.642878851e-02 -8.129142722e-02 -3.419990089e-02 -7.678808071e-02 -8.655293196e-02 2.20 -2.971080269e-02 -4.957988847e-02 -7.284934789e-02 -2.971080269e-02 -2.971080269e-02 -8.176274777e-02 -7.757426925e-02 -3.661890417e-02 -7.266801070e-02 -8.286251209e-02 2.22 -3.288986369e-02 -4.759770528e-02 -7.089593445e-02 -3.288986369e-02 -3.288986369e-02 -7.730480301e-02 -7.394515348e-02 -3.845385874e-02 -6.872315772e-02 -7.923018552e-02 2.24 -3.540860952e-02 -4.560456264e-02 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