# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Nord-J-Kuronen-A--Ga-As # implementation = 2002--Albe-K--Ga-As--LAMMPS--ipr1 # composition = As # 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 1.925239875e+03 nan nan nan nan 0.64 nan nan nan nan nan 1.719877776e+03 nan nan nan nan 0.66 nan nan nan nan nan 1.539882299e+03 nan nan 1.803330317e+03 nan 0.68 nan nan nan nan nan 1.381513489e+03 nan nan 1.618852621e+03 nan 0.70 nan nan nan nan nan 1.242157668e+03 nan nan 1.455918023e+03 nan 0.72 nan 1.855596425e+03 nan nan nan 1.119292803e+03 nan nan 1.311733546e+03 1.861332946e+03 0.74 nan 1.680187237e+03 nan nan nan 1.010423457e+03 1.712612392e+03 nan 1.183730705e+03 1.685897011e+03 0.76 nan 1.523563905e+03 nan nan nan 9.129307323e+02 1.554120411e+03 nan 1.069759887e+03 1.529275710e+03 0.78 nan 1.383849065e+03 1.902832771e+03 nan nan 8.256810676e+02 1.412302108e+03 nan 9.683350953e+02 1.389308457e+03 0.80 nan 1.258686635e+03 1.735729836e+03 nan 1.923306295e+03 7.478555092e+02 1.285120827e+03 1.791144216e+03 8.779500195e+02 1.263720514e+03 0.82 1.758532685e+03 1.146437848e+03 1.585835086e+03 1.758880393e+03 1.759103286e+03 6.785983264e+02 1.170613501e+03 1.637263338e+03 7.970433302e+02 1.150985557e+03 0.84 1.610883922e+03 1.045234558e+03 1.451239267e+03 1.610943842e+03 1.611061148e+03 6.168352699e+02 1.067403762e+03 1.498820143e+03 7.242312520e+02 1.049976547e+03 0.86 1.477353916e+03 9.540158661e+02 1.329806047e+03 1.477243207e+03 1.477203044e+03 5.614430756e+02 9.746337138e+02 1.373761447e+03 6.586674995e+02 9.593830101e+02 0.88 1.356634012e+03 8.718934087e+02 1.219890813e+03 1.356265026e+03 1.356075709e+03 5.115839556e+02 8.911673623e+02 1.260499216e+03 5.995714670e+02 8.773774640e+02 0.90 1.247137114e+03 7.974514922e+02 1.120008131e+03 1.246614524e+03 1.246383301e+03 4.664033935e+02 8.158212225e+02 1.157571377e+03 5.463016298e+02 8.028089556e+02 0.92 1.147189806e+03 7.299350930e+02 1.029305661e+03 1.146974661e+03 1.146835248e+03 4.254563081e+02 7.474690469e+02 1.063841969e+03 4.981542633e+02 7.349963615e+02 0.94 1.056076750e+03 6.686898170e+02 9.469206437e+02 1.056274360e+03 1.056271418e+03 3.884645720e+02 6.852703390e+02 9.785844349e+02 4.545389889e+02 6.735542844e+02 0.96 9.729673907e+02 6.130732798e+02 8.714966517e+02 9.734527807e+02 9.735693821e+02 3.549303026e+02 6.285256307e+02 9.010185149e+02 4.149716377e+02 6.179793222e+02 0.98 8.973260080e+02 5.624258805e+02 8.024288915e+02 8.977900161e+02 8.979567540e+02 3.244936558e+02 5.769031208e+02 8.303687268e+02 3.790580307e+02 5.675415433e+02 1.00 8.284362905e+02 5.162665597e+02 7.394009641e+02 8.286819304e+02 8.288581475e+02 2.968503460e+02 5.300022767e+02 7.659654006e+02 3.464846138e+02 5.214793049e+02 1.02 7.655085324e+02 4.741898973e+02 6.819824190e+02 7.654898750e+02 7.656585112e+02 2.716996092e+02 4.873244961e+02 7.071102448e+02 3.168783401e+02 4.794001463e+02 1.04 7.077575680e+02 4.359057232e+02 6.297817968e+02 7.076050391e+02 7.077413005e+02 2.488963640e+02 4.483917028e+02 6.531534475e+02 2.899160034e+02 4.408213128e+02 1.06 6.547562608e+02 4.009610747e+02 5.822088861e+02 6.545117939e+02 6.545314988e+02 2.282437121e+02 4.126941654e+02 6.036449307e+02 2.653964594e+02 4.055250324e+02 1.08 6.060596269e+02 3.689196963e+02 5.385052640e+02 6.057734905e+02 6.056487428e+02 2.094210600e+02 3.798840215e+02 5.581608391e+02 2.430845277e+02 3.732456003e+02 1.10 5.611299555e+02 3.394588001e+02 4.981116666e+02 5.609437041e+02 5.607315653e+02 1.921529500e+02 3.497440505e+02 5.162775433e+02 2.227447177e+02 3.435841234e+02 1.12 5.197302243e+02 3.124279741e+02 4.608370849e+02 5.197200068e+02 5.194929822e+02 1.763275527e+02 3.220750422e+02 4.777883580e+02 2.041897250e+02 3.163728421e+02 1.14 4.816811022e+02 2.876828058e+02 4.264820422e+02 4.817598896e+02 4.815767476e+02 1.618204453e+02 2.966494261e+02 4.424672459e+02 1.872032905e+02 2.914907324e+02 1.16 4.466757134e+02 2.649916732e+02 3.947471155e+02 4.467825187e+02 4.466931923e+02 1.484257432e+02 2.732899729e+02 4.099939931e+02 1.716458584e+02 2.686662966e+02 1.18 4.144645314e+02 2.441683550e+02 3.655008961e+02 4.145455742e+02 4.145428472e+02 1.361151905e+02 2.518850928e+02 3.800629089e+02 1.574037471e+02 2.477371065e+02 1.20 3.848276542e+02 2.249405936e+02 3.386131102e+02 3.848182849e+02 3.848663205e+02 1.248721427e+02 2.322612186e+02 3.523685263e+02 1.443551187e+02 2.285772100e+02 1.22 3.574172248e+02 2.071152458e+02 3.138648875e+02 3.573213309e+02 3.574030239e+02 1.146220694e+02 2.142854430e+02 3.266107226e+02 1.323315411e+02 2.109885693e+02 1.24 3.317655921e+02 1.906626908e+02 2.910525484e+02 3.317237477e+02 3.318593513e+02 1.052817478e+02 1.978041634e+02 3.026460893e+02 1.212349175e+02 1.947991383e+02 1.26 3.078456932e+02 1.755554935e+02 2.699370304e+02 3.079210436e+02 3.080917163e+02 9.678066057e+01 1.826531342e+02 2.804650253e+02 1.110024305e+02 1.798983780e+02 1.28 2.856592411e+02 1.617297906e+02 2.503213529e+02 2.858250636e+02 2.859912447e+02 8.902241767e+01 1.686561009e+02 2.600209016e+02 1.015907414e+02 1.661726558e+02 1.30 2.651612072e+02 1.490733391e+02 2.319814050e+02 2.653556124e+02 2.654940980e+02 8.182762331e+01 1.556806825e+02 2.411924323e+02 9.297486668e+01 1.534928343e+02 1.32 2.462687296e+02 1.374835205e+02 2.148970377e+02 2.464398842e+02 2.465381749e+02 7.515142304e+01 1.436751118e+02 2.238450512e+02 8.510689936e+01 1.417304679e+02 1.34 2.288519864e+02 1.268364691e+02 1.990760292e+02 2.289710727e+02 2.290252802e+02 6.898131625e+01 1.325817648e+02 2.078392288e+02 7.789975790e+01 1.307295502e+02 1.36 2.128023153e+02 1.170057863e+02 1.844934534e+02 2.128342880e+02 2.128362321e+02 6.329995824e+01 1.223420068e+02 1.930373084e+02 7.126586875e+01 1.204829056e+02 1.38 1.979417397e+02 1.078982425e+02 1.710915131e+02 1.978749673e+02 1.978124880e+02 5.808353219e+01 1.128995534e+02 1.792750221e+02 6.514667239e+01 1.109873325e+02 1.40 1.841190820e+02 9.944109729e+01 1.587737211e+02 1.839818127e+02 1.838630119e+02 5.329325979e+01 1.041910916e+02 1.664685575e+02 5.949604412e+01 1.022279488e+02 1.42 1.712682875e+02 9.155652786e+01 1.473842680e+02 1.710823574e+02 1.709130657e+02 4.887793942e+01 9.612097819e+01 1.545678039e+02 5.428928329e+01 9.417586514e+01 1.44 1.593094205e+02 8.420723806e+01 1.368308068e+02 1.590982983e+02 1.588930443e+02 4.480999938e+01 8.863031706e+01 1.434977113e+02 4.950787512e+01 8.677553888e+01 1.46 1.480925093e+02 7.736542815e+01 1.270113471e+02 1.478924603e+02 1.476926193e+02 4.104880275e+01 8.167626249e+01 1.331507996e+02 4.512537661e+01 7.989276786e+01 1.48 1.375825233e+02 7.102561151e+01 1.178747075e+02 1.374235833e+02 1.372643867e+02 3.757584088e+01 7.520282825e+01 1.234948978e+02 4.109896182e+01 7.349302366e+01 1.50 1.277577378e+02 6.517950463e+01 1.093790076e+02 1.276605250e+02 1.275632062e+02 3.437517542e+01 6.916073612e+01 1.145122643e+02 3.739992903e+01 6.753440945e+01 1.52 1.186058086e+02 5.980917838e+01 1.014823828e+02 1.185770358e+02 1.185482967e+02 3.142920780e+01 6.354008191e+01 1.061777788e+02 3.400093387e+01 6.201468121e+01 1.54 1.101077928e+02 5.488746733e+01 9.414325960e+01 1.101348567e+02 1.101620689e+02 2.871908913e+01 5.832100554e+01 9.845499760e+01 3.088269580e+01 5.692892345e+01 1.56 1.022351846e+02 5.037362480e+01 8.732088939e+01 1.022996924e+02 1.023644293e+02 2.622535624e+01 5.346232574e+01 9.129364744e+01 2.802164788e+01 5.226192555e+01 1.58 9.495101865e+01 4.622875784e+01 8.096999678e+01 9.503444431e+01 9.511814312e+01 2.392306296e+01 4.896161164e+01 8.463229314e+01 2.539530064e+01 4.798938506e+01 1.60 8.821208396e+01 4.240468065e+01 7.505217649e+01 8.829800430e+01 8.838420716e+01 2.179255355e+01 4.480825954e+01 7.843754030e+01 2.298667638e+01 4.408017138e+01 1.62 8.194078876e+01 3.885918934e+01 6.952094232e+01 8.202410761e+01 8.210768773e+01 1.982115373e+01 4.099562529e+01 7.266456786e+01 2.077703502e+01 4.048185281e+01 1.64 7.605101303e+01 3.555625419e+01 6.434063184e+01 7.614068510e+01 7.623058750e+01 1.799716048e+01 3.750897730e+01 6.726848206e+01 1.874728309e+01 3.712682039e+01 1.66 7.052773674e+01 3.248481764e+01 5.949798934e+01 7.062948961e+01 7.073143861e+01 1.630976375e+01 3.431853624e+01 6.223534340e+01 1.687488668e+01 3.400013675e+01 1.68 6.536167258e+01 2.963541944e+01 5.497045065e+01 6.547464511e+01 6.558777857e+01 1.474477564e+01 3.138342164e+01 5.755121231e+01 1.514003915e+01 3.109297614e+01 1.70 6.054176276e+01 2.699811500e+01 5.068383005e+01 6.064641813e+01 6.075119664e+01 1.326634477e+01 2.867618563e+01 5.319975232e+01 1.353297869e+01 2.839596717e+01 1.72 5.605455569e+01 2.455732187e+01 4.663995344e+01 5.613330398e+01 5.621213731e+01 1.187364071e+01 2.617985582e+01 4.916238484e+01 1.204533785e+01 2.589889382e+01 1.74 5.188408886e+01 2.227489101e+01 4.285352223e+01 5.192590757e+01 5.196777574e+01 1.057254487e+01 2.386885036e+01 4.541878169e+01 1.067139280e+01 2.359063704e+01 1.76 4.801217635e+01 2.014672793e+01 3.933330241e+01 4.801230576e+01 4.801245391e+01 9.367189026e+00 2.172469752e+01 4.194474771e+01 9.406264125e+00 2.145930614e+01 1.78 4.441898042e+01 1.817294361e+01 3.608114031e+01 4.437810651e+01 4.433722713e+01 8.259358409e+00 1.973860924e+01 3.871143350e+01 8.244684798e+00 1.949250143e+01 1.80 4.108374373e+01 1.634016387e+01 3.309191707e+01 4.100683981e+01 4.092991357e+01 7.248279149e+00 1.790149699e+01 3.568441311e+01 7.176404394e+00 1.767764863e+01 1.82 3.797751128e+01 1.464098818e+01 3.034894951e+01 3.787452450e+01 3.777150412e+01 6.330728545e+00 1.620400923e+01 3.284524128e+01 6.192940972e+00 1.599867049e+01 1.84 3.507611829e+01 1.307333956e+01 2.783328040e+01 3.495957449e+01 3.484298966e+01 5.501387950e+00 1.463665379e+01 3.017775973e+01 5.290895207e+00 1.444194986e+01 1.86 3.235192727e+01 1.163565144e+01 2.552888721e+01 3.223502969e+01 3.211808858e+01 4.753351596e+00 1.318996341e+01 2.764631381e+01 4.466336316e+00 1.299443419e+01 1.88 2.974858194e+01 1.032118738e+01 2.341727175e+01 2.964803362e+01 2.954744691e+01 4.078708253e+00 1.185368918e+01 2.525663669e+01 3.713187185e+00 1.163408799e+01 1.90 2.727265986e+01 9.125258069e+00 2.146463177e+01 2.719685490e+01 2.712102182e+01 3.463183741e+00 1.061643180e+01 2.301739924e+01 3.025762490e+00 1.035953489e+01 1.92 2.493544012e+01 8.041328961e+00 1.964420273e+01 2.488559810e+01 2.483574067e+01 2.895666726e+00 9.471177740e+00 2.093407284e+01 2.399938605e+00 9.171150707e+00 1.94 2.274571639e+01 7.057299884e+00 1.794757579e+01 2.272083112e+01 2.269594458e+01 2.372846941e+00 8.411659636e+00 1.900843808e+01 1.831020444e+00 8.068723225e+00 1.96 2.070893595e+01 6.157948670e+00 1.636686396e+01 2.070626407e+01 2.070360534e+01 1.891634138e+00 7.431246812e+00 1.723852503e+01 1.315039408e+00 7.051162595e+00 1.98 1.882679689e+01 5.337489855e+00 1.487984217e+01 1.884111321e+01 1.885545511e+01 1.437889262e+00 6.518228410e+00 1.561890490e+01 8.435395790e-01 6.116360253e+00 2.00 1.709724807e+01 4.589931328e+00 1.347230323e+01 1.712201877e+01 1.714682353e+01 1.003855912e+00 5.668604041e+00 1.414113443e+01 4.067924142e-01 5.261178106e+00 2.02 1.551481477e+01 3.905885484e+00 1.214678632e+01 1.554408227e+01 1.557338788e+01 5.943769702e-01 4.880454086e+00 1.278973740e+01 3.731067479e-03 4.481543186e+00 2.04 1.407116113e+01 3.278859562e+00 1.090529844e+01 1.409987085e+01 1.412861832e+01 2.134963280e-01 4.151802303e+00 1.155211756e+01 -3.668175466e-01 3.772619455e+00 2.06 1.275579887e+01 2.704769287e+00 9.748907482e+00 1.278000167e+01 1.280423793e+01 -1.358418159e-01 3.480494780e+00 1.041821448e+01 -7.044043349e-01 3.129027758e+00 2.08 1.155678587e+01 2.179647517e+00 8.677497229e+00 1.157373188e+01 1.159070400e+01 -4.519391579e-01 2.864131509e+00 9.368888559e+00 -1.009088234e+00 2.545063621e+00 2.10 1.044925879e+01 1.698831234e+00 7.689672239e+00 1.045888866e+01 1.046853689e+01 -7.343500725e-01 2.300044882e+00 8.392693133e+00 -1.281499742e+00 2.011018491e+00 2.12 9.416937065e+00 1.258482094e+00 6.782791332e+00 9.420734771e+00 9.424544298e+00 -9.837748984e-01 1.785317095e+00 7.485052135e+00 -1.522821851e+00 1.520083605e+00 2.14 8.455213886e+00 8.557691921e-01 5.953102621e+00 8.454691811e+00 8.454176442e+00 -1.201872274e+00 1.316827111e+00 6.641445242e+00 -1.734724464e+00 1.069313112e+00 2.16 7.559754409e+00 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