# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1 # composition = Ni # 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 1.822963787e+02 nan 0.74 nan nan nan nan nan nan nan nan 1.670241812e+02 nan 0.76 nan nan nan nan nan nan nan nan 1.533425893e+02 nan 0.78 nan nan nan nan nan 1.210207867e+02 nan nan 1.410419126e+02 nan 0.80 nan nan nan nan nan 1.110413998e+02 nan nan 1.299273809e+02 nan 0.82 nan nan nan nan nan 1.019362380e+02 nan nan 1.198335335e+02 nan 0.84 nan nan nan nan nan 9.364316529e+01 nan nan 1.106529432e+02 nan 0.86 nan nan nan nan nan 8.607719389e+01 nan nan 1.022983465e+02 nan 0.88 nan nan nan 1.879882403e+02 1.879743537e+02 7.915173909e+01 nan nan 9.467387678e+01 1.304305273e+02 0.90 nan 1.209729782e+02 nan 1.749938382e+02 1.749793090e+02 7.279343020e+01 1.230384434e+02 nan 8.769849904e+01 1.212619866e+02 0.92 nan 1.127027038e+02 nan 1.631411455e+02 1.631341144e+02 6.695034214e+01 1.146131602e+02 nan 8.129571080e+01 1.128344518e+02 0.94 nan 1.051180744e+02 nan 1.523234691e+02 1.523287361e+02 6.157499728e+01 1.068672583e+02 nan 7.539521194e+01 1.050817851e+02 0.96 nan 9.814533300e+01 nan 1.424198612e+02 1.424331130e+02 5.662140505e+01 9.970594087e+01 nan 6.993923625e+01 9.797295388e+01 0.98 nan 9.172861013e+01 nan 1.333150367e+02 1.333280263e+02 5.207467835e+01 9.309145497e+01 nan 6.488057395e+01 9.144982194e+01 1.00 1.249348602e+02 8.581515867e+01 1.140739840e+02 1.249382352e+02 1.249433774e+02 4.790872014e+01 8.699745861e+01 1.173188534e+02 6.018131588e+01 8.543249251e+01 1.02 1.172573914e+02 8.033040327e+01 1.070474731e+02 1.172288063e+02 1.172190206e+02 4.408412192e+01 8.137075587e+01 1.100836456e+02 5.580460101e+01 7.984356389e+01 1.04 1.101660300e+02 7.522762717e+01 1.005677375e+02 1.101206800e+02 1.101008832e+02 4.055610705e+01 7.615262737e+01 1.033948803e+02 5.171583137e+01 7.463822701e+01 1.06 1.035947029e+02 7.046739594e+01 9.453884686e+01 1.035517881e+02 1.035313801e+02 3.727500749e+01 7.129399080e+01 9.718542968e+01 4.789111280e+01 6.978872971e+01 1.08 9.747574549e+01 6.602045104e+01 8.891115049e+01 9.745509906e+01 9.744003580e+01 3.421246859e+01 6.676007926e+01 9.140146814e+01 4.431582426e+01 6.525698438e+01 1.10 9.177475841e+01 6.186857578e+01 8.366075401e+01 9.177751726e+01 9.176945807e+01 3.136368729e+01 6.252262706e+01 8.601235482e+01 4.098318688e+01 6.100491635e+01 1.12 8.646296633e+01 5.797328786e+01 7.875413555e+01 8.647933319e+01 8.648015048e+01 2.873063474e+01 5.854242947e+01 8.098583855e+01 3.787512893e+01 5.700271829e+01 1.14 8.150289078e+01 5.430179920e+01 7.415037480e+01 8.153016735e+01 8.154157564e+01 2.629556957e+01 5.478600510e+01 7.629197468e+01 3.496868146e+01 5.323520664e+01 1.16 7.686916287e+01 5.084329037e+01 6.984087733e+01 7.690221138e+01 7.692097173e+01 2.404706355e+01 5.123006006e+01 7.190644206e+01 3.224510143e+01 4.969903260e+01 1.18 7.253738006e+01 4.757626684e+01 6.581321284e+01 7.256447947e+01 7.258230472e+01 2.197729333e+01 4.786522883e+01 6.780265662e+01 2.968566460e+01 4.639081265e+01 1.20 6.847111866e+01 4.447900149e+01 6.203513316e+01 6.848503778e+01 6.849526379e+01 2.007270351e+01 4.469156619e+01 6.394708664e+01 2.728273817e+01 4.329036984e+01 1.22 6.464202915e+01 4.154768163e+01 5.847206873e+01 6.464059087e+01 6.464182570e+01 1.831686766e+01 4.170268642e+01 6.031109196e+01 2.502981081e+01 4.037270572e+01 1.24 6.103978314e+01 3.877495886e+01 5.509810355e+01 6.101709110e+01 6.100847573e+01 1.669163336e+01 3.888244140e+01 5.687602883e+01 2.291409148e+01 3.761018967e+01 1.26 5.764251468e+01 3.613971672e+01 5.190474173e+01 5.759929325e+01 5.758242608e+01 1.518303991e+01 3.621322204e+01 5.361805337e+01 2.092472483e+01 3.498330931e+01 1.28 5.441515048e+01 3.362303122e+01 4.887931026e+01 5.436427343e+01 5.434295949e+01 1.377975271e+01 3.368321319e+01 5.051623086e+01 1.905494946e+01 3.249280889e+01 1.30 5.132830970e+01 3.122053824e+01 4.600447193e+01 5.129135086e+01 5.127054317e+01 1.247373735e+01 3.128333248e+01 4.755731764e+01 1.729678697e+01 3.013748489e+01 1.32 4.837724312e+01 2.893643663e+01 4.326625922e+01 4.836660984e+01 4.835040690e+01 1.126252812e+01 2.900264791e+01 4.473692386e+01 1.564006441e+01 2.791153697e+01 1.34 4.556950611e+01 2.676435145e+01 4.064254730e+01 4.558017305e+01 4.557065524e+01 1.015090110e+01 2.683283387e+01 4.205178650e+01 1.407946978e+01 2.581213983e+01 1.36 4.289484936e+01 2.469269398e+01 3.811379212e+01 4.291914230e+01 4.291730041e+01 9.136578593e+00 2.476721686e+01 3.949157675e+01 1.260974014e+01 2.382993822e+01 1.38 4.034591751e+01 2.271269649e+01 3.567853524e+01 4.037526155e+01 4.038036825e+01 8.205389654e+00 2.280616912e+01 3.704754290e+01 1.122487799e+01 2.195579982e+01 1.40 3.791454500e+01 2.082045332e+01 3.334948776e+01 3.794334199e+01 3.795501991e+01 7.352079235e+00 2.095243530e+01 3.471224587e+01 9.930559382e+00 2.018003310e+01 1.42 3.559029796e+01 1.901859901e+01 3.112979692e+01 3.561757364e+01 3.563619362e+01 6.571034060e+00 1.920033072e+01 3.248212003e+01 8.741812347e+00 1.849393728e+01 1.44 3.336886149e+01 1.730955692e+01 2.901336566e+01 3.339199125e+01 3.341637739e+01 5.853550439e+00 1.754127976e+01 3.035200214e+01 7.647594374e+00 1.689488615e+01 1.46 3.124492233e+01 1.568960621e+01 2.699663884e+01 3.126001483e+01 3.128715553e+01 5.194768736e+00 1.596694377e+01 2.831381117e+01 6.638407360e+00 1.537896530e+01 1.48 2.920940018e+01 1.415223493e+01 2.507604760e+01 2.921544687e+01 2.924099680e+01 4.590497288e+00 1.447110999e+01 2.635984866e+01 5.709255531e+00 1.393828619e+01 1.50 2.725742263e+01 1.269035504e+01 2.324489253e+01 2.725521122e+01 2.727411638e+01 4.033961184e+00 1.304932185e+01 2.448702056e+01 4.855958956e+00 1.256904176e+01 1.52 2.538723464e+01 1.129788364e+01 2.149541637e+01 2.537716328e+01 2.538584569e+01 3.518099583e+00 1.169667246e+01 2.269376125e+01 4.073572898e+00 1.127046619e+01 1.54 2.359238595e+01 9.977284887e+00 1.981961326e+01 2.357865679e+01 2.357761118e+01 3.036186394e+00 1.041179091e+01 2.097654997e+01 3.355998967e+00 1.004225926e+01 1.56 2.186662914e+01 8.748725832e+00 1.821124371e+01 2.185555156e+01 2.184758727e+01 2.582962237e+00 9.210413451e+00 1.933255021e+01 2.696839181e+00 8.894949170e+00 1.58 2.021031375e+01 7.610361109e+00 1.666964740e+01 2.020517890e+01 2.019274403e+01 2.156592850e+00 8.090616891e+00 1.776167672e+01 2.091009506e+00 7.825439460e+00 1.60 1.862853351e+01 6.556304139e+00 1.519803241e+01 1.862711223e+01 1.861147775e+01 1.757792037e+00 7.045559980e+00 1.626494635e+01 1.535227456e+00 6.833651336e+00 1.62 1.712045061e+01 5.578887837e+00 1.379409599e+01 1.711855676e+01 1.710084738e+01 1.384399161e+00 6.069907993e+00 1.483912174e+01 1.026699866e+00 5.915027255e+00 1.64 1.568206332e+01 4.669763200e+00 1.245302027e+01 1.567693750e+01 1.565863374e+01 1.033101421e+00 5.160050559e+00 1.347928396e+01 5.633232097e-01 5.062858608e+00 1.66 1.430943719e+01 3.821580653e+00 1.117175341e+01 1.430115840e+01 1.428389779e+01 7.019679346e-01 4.313871898e+00 1.218019985e+01 1.437820779e-01 4.271938878e+00 1.68 1.299912889e+01 3.029080260e+00 9.955703523e+00 1.298861970e+01 1.297372902e+01 3.916487419e-01 3.529855010e+00 1.093681373e+01 -2.342414162e-01 3.539582307e+00 1.70 1.174730669e+01 2.288132400e+00 8.822406621e+00 1.173524365e+01 1.172362915e+01 1.022142164e-01 2.804660040e+00 9.753421959e+00 -5.739540330e-01 2.864145318e+00 1.72 1.054904123e+01 1.594513955e+00 7.767829488e+00 1.053658702e+01 1.052921854e+01 -1.688198842e-01 2.134216348e+00 8.638075980e+00 -8.804214335e-01 2.242387949e+00 1.74 9.412549324e+00 9.469695006e-01 6.784803258e+00 9.402140181e+00 9.400259301e+00 -4.230759292e-01 1.515271633e+00 7.586740137e+00 -1.161118656e+00 1.670799451e+00 1.76 8.336484157e+00 3.470805215e-01 5.865834758e+00 8.332265266e+00 8.337023872e+00 -6.618931948e-01 9.450898028e-01 6.597010956e+00 -1.421792963e+00 1.146183546e+00 1.78 7.316956467e+00 -2.032959371e-01 5.003092199e+00 7.322683542e+00 7.334467107e+00 -8.865593258e-01 4.206659199e-01 5.668764225e+00 -1.663098706e+00 6.656853876e-01 1.80 6.357159702e+00 -7.043405779e-01 4.189264165e+00 6.372898305e+00 6.390561682e+00 -1.098320352e+00 -6.091932555e-02 4.801699808e+00 -1.884798263e+00 2.266687523e-01 1.82 5.459940330e+00 -1.157132579e+00 3.418907092e+00 5.482555859e+00 5.503940572e+00 -1.298349950e+00 -5.017941961e-01 3.993110953e+00 -2.087859387e+00 -1.731908636e-01 1.84 4.622301241e+00 -1.562577264e+00 2.690312353e+00 4.648510285e+00 4.671959673e+00 -1.487499729e+00 -9.029733650e-01 3.238933124e+00 -2.272918651e+00 -5.362134775e-01 1.86 3.840332327e+00 -1.922200815e+00 2.003945280e+00 3.867591750e+00 3.892224824e+00 -1.665965648e+00 -1.264334548e+00 2.535360664e+00 -2.440720066e+00 -8.651367509e-01 1.88 3.110219802e+00 -2.239851770e+00 1.360309037e+00 3.136652316e+00 3.161591097e+00 -1.832760591e+00 -1.586028618e+00 1.879340975e+00 -2.592738092e+00 -1.164003362e+00 1.90 2.428518166e+00 -2.522557197e+00 7.612240925e-01 2.453089287e+00 2.477169162e+00 -1.986723911e+00 -1.871013711e+00 1.268944304e+00 -2.730515631e+00 -1.438786265e+00 1.92 1.792543471e+00 -2.776501986e+00 2.066142049e-01 1.814347219e+00 1.836080159e+00 -2.129038773e+00 -2.125665595e+00 7.025460885e-01 -2.855423954e+00 -1.694942826e+00 1.94 1.200673061e+00 -3.004931061e+00 -3.052621162e-01 1.218288387e+00 1.235902517e+00 -2.261650830e+00 -2.354795931e+00 1.778134635e-01 -2.968616697e+00 -1.932653507e+00 1.96 6.514898727e-01 -3.210571384e+00 -7.758737153e-01 6.631601958e-01 6.748305189e-01 -2.385409951e+00 -2.560890631e+00 -3.076875792e-01 -3.071472595e+00 -2.150292741e+00 1.98 1.428738102e-01 -3.395990288e+00 -1.206418771e+00 1.472542194e-01 1.516346286e-01 -2.500876814e+00 -2.746153268e+00 -7.557643069e-01 -3.165514465e+00 -2.348962624e+00 2.00 -3.275206617e-01 -3.563301631e+00 -1.597838086e+00 -3.306782666e-01 -3.338358716e-01 -2.608486563e+00 -2.912700837e+00 -1.167409219e+00 -3.251506418e+00 -2.530644993e+00 2.02 -7.618314154e-01 -3.713775997e+00 -1.951071628e+00 -7.717828400e-01 -7.817342645e-01 -2.708357059e+00 -3.062436418e+00 -1.542886732e+00 -3.329760767e+00 -2.697377874e+00 2.04 -1.162135806e+00 -3.847766481e+00 -2.267732525e+00 -1.177665973e+00 -1.193196139e+00 -2.799971856e+00 -3.196804667e+00 -1.883228803e+00 -3.400120452e+00 -2.851224530e+00 2.06 -1.530396250e+00 -3.965189314e+00 -2.551122469e+00 -1.549912598e+00 -1.569428945e+00 -2.882082728e+00 -3.316485787e+00 -2.191493477e+00 -3.462704440e+00 -2.994057642e+00 2.08 -1.868474934e+00 -4.065478127e+00 -2.805882812e+00 -1.890087216e+00 -1.911699497e+00 -2.953303361e+00 -3.421974657e+00 -2.472579982e+00 -3.517979314e+00 -3.127264007e+00 2.10 -2.178136186e+00 -4.149008793e+00 -3.035019973e+00 -2.199955191e+00 -2.221774196e+00 -3.012496933e+00 -3.514768603e+00 -2.730753298e+00 -3.566165167e+00 -3.250987049e+00 2.12 -2.461053990e+00 -4.217553603e+00 -3.240112110e+00 -2.481735043e+00 -2.502416097e+00 -3.058207007e+00 -3.597375865e+00 -2.966715045e+00 -3.606960265e+00 -3.363744667e+00 2.14 -2.718830606e+00 -4.272782967e+00 -3.422526074e+00 -2.737864022e+00 -2.756897437e+00 -3.088496868e+00 -3.672506462e+00 -3.180315198e+00 -3.639440534e+00 -3.464130969e+00 2.16 -2.952964031e+00 -4.315770234e+00 -3.583505381e+00 -2.970189546e+00 -2.987415062e+00 -3.101327807e+00 -3.741729979e+00 -3.372545266e+00 -3.662141152e+00 -3.553060152e+00 2.18 -3.164882361e+00 -4.347441937e+00 -3.724172158e+00 -3.180144437e+00 -3.195406514e+00 -3.096182932e+00 -3.805106446e+00 -3.544760519e+00 -3.673674442e+00 -3.631779577e+00 2.20 -3.355940036e+00 -4.368662389e+00 -3.845557797e+00 -3.369058003e+00 -3.382175971e+00 -3.076897918e+00 -3.862637524e+00 -3.698254987e+00 -3.672676726e+00 -3.701015715e+00 2.22 -3.527420393e+00 -4.380228417e+00 -3.948585930e+00 -3.538179724e+00 -3.548939055e+00 -3.049682559e+00 -3.914693821e+00 -3.834242408e+00 -3.657727079e+00 -3.761406895e+00 2.24 -3.680539108e+00 -4.382860522e+00 -4.034289495e+00 -3.688682332e+00 -3.696825556e+00 -3.016798531e+00 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