# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Mendelev-M-I--Ni-Nb # implementation = 2022--Mendelev-M-I--Ni-Nb--LAMMPS--ipr1 # composition = Nb # 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 nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 2.476237832e+05 nan 0.86 nan nan nan nan nan nan nan nan 2.288535564e+05 nan 0.88 nan nan nan nan nan nan nan nan 2.117553465e+05 nan 0.90 nan nan nan nan nan 1.668362534e+05 nan nan 1.961481315e+05 nan 0.92 nan nan nan nan nan 1.544465746e+05 nan nan 1.818743939e+05 nan 0.94 nan nan nan nan nan 1.430946842e+05 nan nan 1.687952759e+05 nan 0.96 nan nan nan nan nan 1.326742650e+05 nan nan 1.567880468e+05 nan 0.98 nan nan nan nan nan 1.230912168e+05 nan nan 1.457447020e+05 nan 1.00 nan nan nan nan nan 1.142618670e+05 nan nan 1.355699840e+05 nan 1.02 nan nan nan 2.628158499e+05 2.628161641e+05 1.061125078e+05 nan nan 1.261797651e+05 1.777982478e+05 1.04 nan 1.661157862e+05 nan 2.463649316e+05 2.463656461e+05 9.857915511e+04 1.688886404e+05 nan 1.174998023e+05 1.661820593e+05 1.06 nan 1.553645164e+05 nan 2.311359568e+05 2.311366768e+05 9.160551458e+04 1.579827196e+05 nan 1.094647320e+05 1.554302917e+05 1.08 nan 1.453976558e+05 nan 2.170174447e+05 2.170177234e+05 8.514130225e+04 1.478732115e+05 nan 1.020166249e+05 1.454637832e+05 1.10 nan 1.361453058e+05 nan 2.039102932e+05 2.039100089e+05 7.914127682e+04 1.384892480e+05 nan 9.510353089e+04 1.362112462e+05 1.12 nan 1.275447124e+05 nan 1.917258876e+05 1.917253039e+05 7.356482131e+04 1.297669976e+05 nan 8.867865489e+04 1.276093297e+05 1.14 nan 1.195396304e+05 nan 1.803844612e+05 1.803839428e+05 6.837549011e+04 1.216488661e+05 nan 8.269982581e+04 1.196019205e+05 1.16 1.698157130e+05 1.120794713e+05 1.537485824e+05 1.698143617e+05 1.698142081e+05 6.354057848e+04 1.140830327e+05 1.585310567e+05 7.712895308e+04 1.121386330e+05 1.18 1.599511405e+05 1.051187575e+05 1.446914185e+05 1.599513526e+05 1.599517197e+05 5.903072177e+04 1.070228958e+05 1.492335435e+05 7.193156741e+04 1.051744018e+05 1.20 1.507355602e+05 9.861631620e+04 1.362301322e+05 1.507374274e+05 1.507382584e+05 5.481929971e+04 1.004265830e+05 1.405484301e+05 6.707658590e+04 9.866907226e+04 1.22 1.421172718e+05 9.253521478e+04 1.283171312e+05 1.421200910e+05 1.421211466e+05 5.088229368e+04 9.425671223e+04 1.324266733e+05 6.253605283e+04 9.258638429e+04 1.24 1.340492517e+05 8.684210593e+04 1.209093881e+05 1.340517853e+05 1.340527300e+05 4.719801437e+04 8.847997457e+04 1.248234495e+05 5.828478335e+04 8.689303765e+04 1.26 1.264883173e+05 8.150678046e+04 1.139674491e+05 1.264895476e+05 1.264900674e+05 4.374654792e+04 8.306635546e+04 1.176977890e+05 5.430006613e+04 8.155828448e+04 1.28 1.193951253e+05 7.650153539e+04 1.074553911e+05 1.193946216e+05 1.193945047e+05 4.050948435e+04 7.798840549e+04 1.110125023e+05 5.056138958e+04 7.655382911e+04 1.30 1.127337571e+05 7.180106760e+04 1.013404279e+05 1.127317264e+05 1.127309429e+05 3.746990345e+04 7.322071763e+04 1.047339331e+05 4.705017009e+04 7.185397291e+04 1.32 1.064714799e+05 6.738247286e+04 9.559230087e+04 1.064685878e+05 1.064673437e+05 3.461232758e+04 6.873989547e+04 9.883139253e+04 4.374955261e+04 6.743556624e+04 1.34 1.005786000e+05 6.322497112e+04 9.018325344e+04 1.005757042e+05 1.005743517e+05 3.192272467e+04 6.452448973e+04 9.327703077e+04 4.064426789e+04 6.327778055e+04 1.36 9.502816997e+04 5.930965734e+04 8.508814568e+04 9.502608518e+04 9.502497562e+04 2.938855557e+04 6.055491644e+04 8.804548697e+04 3.772046448e+04 5.936169010e+04 1.38 8.979560372e+04 5.561935653e+04 8.028449575e+04 8.979489254e+04 8.979429430e+04 2.699879409e+04 5.681332440e+04 8.311375908e+04 3.496550658e+04 5.566995719e+04 1.40 8.485873293e+04 5.213833097e+04 7.575197587e+04 8.485950801e+04 8.485955996e+04 2.474367733e+04 5.328338625e+04 7.846100940e+04 3.236777942e+04 5.218677111e+04 1.42 8.019733535e+04 4.885197632e+04 7.147207793e+04 8.019933125e+04 8.020005569e+04 2.261447325e+04 4.995012174e+04 7.406814389e+04 2.991646517e+04 4.889776163e+04 1.44 7.579277228e+04 4.574681910e+04 6.742782002e+04 7.579555978e+04 7.579687786e+04 2.060313809e+04 4.679985683e+04 6.991758128e+04 2.760149154e+04 4.578989870e+04 1.46 7.162786186e+04 4.281058446e+04 6.360359770e+04 7.163096696e+04 7.163269107e+04 1.870212278e+04 4.382017003e+04 6.599311805e+04 2.541347759e+04 4.285129197e+04 1.48 6.768680465e+04 4.003205850e+04 5.998515414e+04 6.768969671e+04 6.769153727e+04 1.690445663e+04 4.099979223e+04 6.227974661e+04 2.334375052e+04 4.007105745e+04 1.50 6.395491827e+04 3.740083978e+04 5.655916162e+04 6.395708592e+04 6.395870525e+04 1.520361701e+04 3.832850855e+04 5.876351731e+04 2.138430810e+04 3.743903600e+04 1.52 6.041850383e+04 3.490730630e+04 5.331305948e+04 6.041956487e+04 6.042065948e+04 1.359344586e+04 3.579698990e+04 5.543142154e+04 1.952783086e+04 3.494563428e+04 1.54 5.706483956e+04 3.254262869e+04 5.023508066e+04 5.706460765e+04 5.706498825e+04 1.206813646e+04 3.339659445e+04 5.227137086e+04 1.776760943e+04 3.258182286e+04 1.56 5.388217372e+04 3.029869655e+04 4.731427001e+04 5.388066628e+04 5.388027376e+04 1.062221834e+04 3.111921612e+04 4.927223342e+04 1.609744513e+04 3.033913940e+04 1.58 5.085968549e+04 2.816793492e+04 4.454052754e+04 5.085707368e+04 5.085596091e+04 9.250573309e+03 2.895722760e+04 4.642374447e+04 1.451157727e+04 2.820973149e+04 1.60 4.798726516e+04 2.614325157e+04 4.190459617e+04 4.798391102e+04 4.798223927e+04 7.948458819e+03 2.690350532e+04 4.371640666e+04 1.300466255e+04 2.618640325e+04 1.62 4.525546991e+04 2.421806291e+04 3.939791224e+04 4.525190163e+04 4.524991289e+04 6.711501328e+03 2.495137360e+04 4.114146920e+04 1.157178470e+04 2.426264601e+04 1.64 4.265556945e+04 2.238632376e+04 3.701249516e+04 4.265240587e+04 4.265038402e+04 5.535658210e+03 2.309463575e+04 3.869090946e+04 1.020841670e+04 2.243254415e+04 1.66 4.017960056e+04 2.064253172e+04 3.474095606e+04 4.017742300e+04 4.017565008e+04 4.417222063e+03 2.132751978e+04 3.635738158e+04 8.910363928e+03 2.069059942e+04 1.68 3.782036564e+04 1.898161110e+04 3.257646269e+04 3.781953529e+04 3.781824770e+04 3.384338317e+03 1.964465949e+04 3.413413361e+04 7.673752091e+03 1.903163912e+04 1.70 3.557131847e+04 1.739879073e+04 3.051267003e+04 3.557188991e+04 3.557125148e+04 2.566085490e+03 1.804108435e+04 3.201491685e+04 6.495031477e+03 1.745083253e+04 1.72 3.342630363e+04 1.588957730e+04 2.854373050e+04 3.342810783e+04 3.342820635e+04 1.934069679e+03 1.651218662e+04 2.999386601e+04 5.370934006e+03 1.594361032e+04 1.74 3.137953790e+04 1.444977078e+04 2.666432831e+04 3.138227545e+04 3.138312153e+04 1.447946252e+03 1.505369846e+04 2.806549731e+04 4.298430811e+03 1.450566657e+04 1.76 2.942561912e+04 1.307547609e+04 2.486968848e+04 2.942891578e+04 2.943044541e+04 1.075846554e+03 1.366167903e+04 2.622467467e+04 3.314213772e+03 1.313297234e+04 1.78 2.755945820e+04 1.176309020e+04 2.315547026e+04 2.756294542e+04 2.756504231e+04 7.926164321e+02 1.233243951e+04 2.446659566e+04 2.533711461e+03 1.182175914e+04 1.80 2.577625909e+04 1.050928848e+04 2.151758934e+04 2.577961988e+04 2.578212965e+04 5.784029488e+02 1.106246692e+04 2.278677696e+04 1.925434383e+03 1.056851819e+04 1.82 2.407153341e+04 9.310971931e+03 1.995212351e+04 2.407450183e+04 2.407723463e+04 4.175539693e+02 9.848421747e+03 2.118100802e+04 1.453433086e+03 9.370011658e+03 1.84 2.244108869e+04 8.165199460e+03 1.845532022e+04 2.244344185e+04 2.244617838e+04 2.977609571e+02 8.687150380e+03 1.964531978e+04 1.088957052e+03 8.223260267e+03 1.86 2.088096824e+04 7.069161339e+03 1.702360866e+04 2.088254324e+04 2.088505044e+04 2.093758568e+02 7.575704881e+03 1.817596315e+04 8.090527257e+02 7.125483942e+03 1.88 1.938743987e+04 6.020178906e+03 1.565357924e+04 1.938815471e+04 1.939020563e+04 1.448584540e+02 6.511339278e+03 1.676941062e+04 5.954258131e+02 6.074090341e+03 1.90 1.795700601e+04 5.015727098e+03 1.434196937e+04 1.795686204e+04 1.795825739e+04 9.833825203e+01 5.491501525e+03 1.542236496e+04 4.335245889e+02 5.066684130e+03 1.92 1.658640670e+04 4.053417388e+03 1.308566996e+04 1.658546252e+04 1.658605376e+04 6.526687858e+01 4.513826238e+03 1.413174532e+04 3.117843271e+02 4.101070551e+03 1.94 1.527257345e+04 3.188534347e+03 1.188173236e+04 1.527093953e+04 1.527065364e+04 4.213938153e+01 3.587412879e+03 1.289465201e+04 2.210474072e+02 3.227099633e+03 1.96 1.401259666e+04 2.495563666e+03 1.072737515e+04 1.401044056e+04 1.400929598e+04 2.627169152e+01 2.817001755e+03 1.170835014e+04 1.540905203e+02 2.525807560e+03 1.98 1.280374079e+04 1.943173545e+03 9.619990562e+03 1.280126043e+04 1.279935265e+04 1.562350251e+01 2.201083516e+03 1.057026444e+04 1.052403989e+02 1.966861901e+03 2.00 1.164345604e+04 1.504401550e+03 8.557153692e+03 1.164084068e+04 1.163831678e+04 8.657579174e+00 1.710395547e+03 9.477972322e+03 7.006180638e+01 1.523019184e+03 2.02 1.052938227e+04 1.157257563e+03 7.536641840e+03 1.052677481e+04 1.052380847e+04 4.228251334e+00 1.321008728e+03 8.429201237e+03 4.510636721e+01 1.172039916e+03 2.04 9.459299207e+03 8.838221405e+02 6.556360163e+03 9.456786714e+03 9.453562497e+03 1.493158672e+00 1.013369144e+03 7.421792262e+03 2.770946162e+01 8.957713831e+02 2.06 8.431073806e+03 6.695113918e+02 5.614310396e+03 8.428707417e+03 8.425414041e+03 -1.557843046e-01 7.715092469e+02 6.453679764e+03 1.582625343e+01 6.794078158e+02 2.08 7.442659092e+03 5.024894087e+02 4.708598482e+03 7.440478271e+03 7.437302020e+03 -1.145254242e+00 5.824069630e+02 5.522895573e+03 7.900121546e+00 5.109003592e+02 2.10 6.492098461e+03 3.731492290e+02 3.838085650e+03 6.490154175e+03 6.487271665e+03 -1.762909206e+00 4.354577023e+02 4.627574905e+03 2.757301774e+00 3.804675147e+02 2.12 5.577530832e+03 2.737063445e+02 3.077019292e+03 5.575891149e+03 5.573461389e+03 -2.191133735e+00 3.220425027e+02 3.768212832e+03 -4.768976204e-01 2.801907223e+02 2.14 4.697195756e+03 1.978728452e+02 2.457007737e+03 4.695935969e+03 4.694091932e+03 -2.533600250e+00 2.351726234e+02 3.025034158e+03 -2.443987224e+00 2.036806125e+02 2.16 3.849905309e+03 1.405806161e+02 1.953267771e+03 3.849110535e+03 3.847968932e+03 -2.836399463e+00 1.691977810e+02 2.418639988e+03 -3.604511403e+00 1.457975884e+02 2.18 3.105093618e+03 9.775542630e+01 1.545216045e+03 3.104852218e+03 3.104508982e+03 -3.109523930e+00 1.195683551e+02 1.925189957e+03 -4.279663901e+00 1.024219886e+02 2.20 2.494786799e+03 6.613340197e+01 1.215771999e+03 2.494990792e+03 2.495253585e+03 -3.353966999e+00 8.263912767e+01 1.524874541e+03 -4.684761846e+00 7.026625401e+01 2.22 1.995961756e+03 4.311067921e+01 9.507757253e+02 1.996506397e+03 1.997194851e+03 -3.570581334e+00 5.549552691e+01 1.201231300e+03 -4.955052375e+00 4.671948325e+01 2.24 1.589424135e+03 2.661954021e+01 7.385004181e+02 1.590210403e+03 1.591164438e+03 -3.760487873e+00 3.582194283e+01 9.405814557e+02 -5.165686467e+00 2.971876227e+01 2.26 1.259174292e+03 1.502779800e+01 5.692451017e+02 1.260108107e+03 1.261192489e+03 -3.924598388e+00 2.179035132e+01 7.315787533e+02 -5.348068828e+00 1.764319168e+01 2.28 9.918773628e+02 7.057298261e+00 4.349939307e+02 9.928694873e+02 9.939756980e+02 -4.064185579e+00 1.196801027e+01 5.647863004e+02 -5.507920937e+00 9.226699585e+00 2.30 7.764136606e+02 1.716403256e+00 3.291317485e+02 7.773849372e+02 7.784321823e+02 -4.182898562e+00 5.240557298e+00 4.323726731e+02 -5.645957989e+00 3.486608299e+00 2.32 6.035217704e+02 -1.753182982e+00 2.462191948e+02 6.044122303e+02 6.053477963e+02 -4.280611661e+00 7.548678569e-01 3.278608184e+02 -5.758409979e+00 -3.233790211e-01 2.34 4.654829771e+02 -3.925020804e+00 1.817788396e+02 4.662555116e+02 4.670520504e+02 -4.359747021e+00 -2.140782383e+00 2.459020418e+02 -5.843218689e+00 -2.770044100e+00 2.36 3.558637563e+02 -5.227571160e+00 1.321202863e+02 3.565023298e+02 3.571525819e+02 -4.426793788e+00 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