# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Liu-X-Y-Adams-J-B--Al-Mg # implementation = 1998--Liu-X-Y--Al-Mg--LAMMPS--ipr1 # composition = Mg # 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 1.199367280e+02 nan 0.84 nan nan nan nan nan nan nan nan 1.110325029e+02 nan 0.86 nan nan nan nan nan nan nan nan 1.028832989e+02 nan 0.88 nan nan nan nan nan 8.198517676e+01 nan nan 9.541380765e+01 nan 0.90 nan nan nan nan nan 7.639805375e+01 nan nan 8.859711802e+01 nan 0.92 nan nan nan nan nan 7.129996549e+01 nan nan 8.239714775e+01 nan 0.94 nan nan nan nan nan 6.664842788e+01 nan nan 7.675540704e+01 nan 0.96 nan nan nan nan nan 6.239009866e+01 nan nan 7.162158224e+01 nan 0.98 nan nan nan nan nan 5.848053518e+01 nan nan 6.696346965e+01 nan 1.00 nan 8.676544414e+01 nan 1.251727948e+02 1.252117126e+02 5.487125888e+01 nan nan 6.272642897e+01 8.591232832e+01 1.02 nan 8.141928874e+01 nan 1.177055356e+02 1.177714340e+02 5.152086481e+01 8.194286654e+01 nan 5.886830244e+01 8.051478555e+01 1.04 nan 7.644381050e+01 nan 1.107768628e+02 1.108592567e+02 4.840198382e+01 7.676004465e+01 nan 5.534027844e+01 7.555018096e+01 1.06 nan 7.178747426e+01 nan 1.043287340e+02 1.044173561e+02 4.547947912e+01 7.201631236e+01 nan 5.208912718e+01 7.097831800e+01 1.08 nan 6.743994992e+01 nan 9.832896754e+01 9.839924052e+01 4.272570993e+01 6.765250369e+01 nan 4.906905300e+01 6.679662286e+01 1.10 nan 6.336650772e+01 nan 9.272501701e+01 9.275380257e+01 4.011327373e+01 6.363492178e+01 nan 4.625323396e+01 6.296256666e+01 1.12 nan 5.953697421e+01 nan 8.750137832e+01 8.749513897e+01 3.766062528e+01 5.994934418e+01 8.212276746e+01 4.362375992e+01 5.943992504e+01 1.14 8.264955453e+01 5.596000407e+01 7.502542177e+01 8.262332387e+01 8.259702945e+01 3.534791738e+01 5.656531426e+01 7.747923943e+01 4.116093103e+01 5.618556828e+01 1.16 7.806897757e+01 5.264261059e+01 7.073272700e+01 7.804253107e+01 7.800844160e+01 3.316382785e+01 5.345807516e+01 7.308796594e+01 3.884334704e+01 5.316119940e+01 1.18 7.373989182e+01 4.956898701e+01 6.674006331e+01 7.371923244e+01 7.368813884e+01 3.109570091e+01 5.059583109e+01 6.893991199e+01 3.665909400e+01 5.033391704e+01 1.20 6.963015969e+01 4.673035024e+01 6.302697357e+01 6.961902423e+01 6.959877392e+01 2.913233094e+01 4.794806676e+01 6.503263907e+01 3.460641922e+01 4.767737471e+01 1.22 6.573189810e+01 4.411171717e+01 5.956431462e+01 6.573269250e+01 6.572835739e+01 2.726137299e+01 4.549106413e+01 6.139595521e+01 3.267306195e+01 4.517057564e+01 1.24 6.212062656e+01 4.169665209e+01 5.632662693e+01 6.212432515e+01 6.213015448e+01 2.547456423e+01 4.319595964e+01 5.803426711e+01 3.084716381e+01 4.282455177e+01 1.26 5.877633677e+01 3.946935114e+01 5.328571224e+01 5.877685430e+01 5.878563760e+01 2.376656831e+01 4.103648557e+01 5.491940367e+01 2.911833469e+01 4.063034931e+01 1.28 5.566789010e+01 3.741025646e+01 5.041613743e+01 5.566347484e+01 5.566851521e+01 2.212905567e+01 3.899564908e+01 5.202695573e+01 2.747782629e+01 3.856985855e+01 1.30 5.277416509e+01 3.550650262e+01 4.773548124e+01 5.276596919e+01 5.276455684e+01 2.058255098e+01 3.706753860e+01 4.933759913e+01 2.592168452e+01 3.661933847e+01 1.32 5.008597024e+01 3.374306629e+01 4.526645843e+01 5.007500094e+01 5.006754842e+01 1.915850951e+01 3.524465720e+01 4.683843990e+01 2.445745083e+01 3.476707635e+01 1.34 4.758483105e+01 3.210197466e+01 4.298937677e+01 4.757453159e+01 4.756136570e+01 1.784803141e+01 3.351015834e+01 4.451422468e+01 2.307465467e+01 3.301374646e+01 1.36 4.525680288e+01 3.057429218e+01 4.088911626e+01 4.524627548e+01 4.522832439e+01 1.664254266e+01 3.185265276e+01 4.234964196e+01 2.176341173e+01 3.135568220e+01 1.38 4.308611013e+01 2.914756309e+01 3.894603602e+01 4.307125015e+01 4.304920923e+01 1.553413027e+01 3.026773113e+01 4.032580953e+01 2.051379984e+01 2.978598977e+01 1.40 4.105483774e+01 2.781393371e+01 3.714398977e+01 4.103458679e+01 4.101030220e+01 1.451877588e+01 2.875304865e+01 3.842453394e+01 1.931909244e+01 2.829571995e+01 1.42 3.914948108e+01 2.656207707e+01 3.546639147e+01 3.912360452e+01 3.909898148e+01 1.358866817e+01 2.730690920e+01 3.663545561e+01 1.818302717e+01 2.687183121e+01 1.44 3.735308815e+01 2.537722067e+01 3.390093112e+01 3.732474062e+01 3.730175107e+01 1.273532999e+01 2.592521010e+01 3.495029782e+01 1.711235499e+01 2.550170561e+01 1.46 3.565090127e+01 2.425075805e+01 3.243288100e+01 3.562585192e+01 3.560784059e+01 1.195071656e+01 2.462415901e+01 3.335781563e+01 1.610009005e+01 2.417727898e+01 1.48 3.403282889e+01 2.318036023e+01 3.104772088e+01 3.401697035e+01 3.400731753e+01 1.122673233e+01 2.340058632e+01 3.184947865e+01 1.514041162e+01 2.289436338e+01 1.50 3.250266710e+01 2.215984723e+01 2.973056165e+01 3.249928333e+01 3.249961772e+01 1.055465362e+01 2.224652271e+01 3.042567160e+01 1.423012013e+01 2.166942403e+01 1.52 3.106473700e+01 2.118419503e+01 2.847343223e+01 3.107530743e+01 3.108574762e+01 9.928642379e+00 2.115395850e+01 2.908690807e+01 1.336599715e+01 2.052102777e+01 1.54 2.971032991e+01 2.024986715e+01 2.727544936e+01 2.973507884e+01 2.975466567e+01 9.346388225e+00 2.011816360e+01 2.782622263e+01 1.254721523e+01 1.944136191e+01 1.56 2.843712232e+01 1.935390806e+01 2.613158188e+01 2.847164272e+01 2.849807185e+01 8.804677434e+00 1.913523706e+01 2.663887993e+01 1.177358209e+01 1.842285925e+01 1.58 2.723816892e+01 1.849064365e+01 2.504158258e+01 2.727786519e+01 2.730881123e+01 8.304830603e+00 1.819915333e+01 2.551799172e+01 1.104309562e+01 1.745574150e+01 1.60 2.610884082e+01 1.765396737e+01 2.400061845e+01 2.614850176e+01 2.618149937e+01 7.843393839e+00 1.730341198e+01 2.445810540e+01 1.035236486e+01 1.653541833e+01 1.62 2.504267050e+01 1.683975865e+01 2.300484474e+01 2.507885388e+01 2.511141719e+01 7.416038394e+00 1.644339495e+01 2.345458009e+01 9.698636525e+00 1.565766609e+01 1.64 2.403260391e+01 1.604657261e+01 2.205509025e+01 2.406285465e+01 2.409253228e+01 7.019991850e+00 1.561360243e+01 2.250173573e+01 9.080174500e+00 1.482016995e+01 1.66 2.307382314e+01 1.527109021e+01 2.115011034e+01 2.309570736e+01 2.311973417e+01 6.652843138e+00 1.480993298e+01 2.159649981e+01 8.493797233e+00 1.402271425e+01 1.68 2.216176133e+01 1.450922103e+01 2.028562294e+01 2.217370843e+01 2.218915529e+01 6.311145152e+00 1.403098853e+01 2.073553864e+01 7.937259004e+00 1.326386881e+01 1.70 2.129271597e+01 1.375725315e+01 1.945773862e+01 2.129348331e+01 2.129822418e+01 5.992620182e+00 1.328219532e+01 1.991418223e+01 7.410036950e+00 1.254208854e+01 1.72 2.046198402e+01 1.301604497e+01 1.866027439e+01 2.045190114e+01 2.044573194e+01 5.693712586e+00 1.256505164e+01 1.912694014e+01 6.914058092e+00 1.185469358e+01 1.74 1.966625596e+01 1.229753707e+01 1.788610987e+01 1.964614056e+01 1.962967517e+01 5.410114673e+00 1.187686601e+01 1.837014588e+01 6.451368275e+00 1.119874130e+01 1.76 1.890450651e+01 1.160068508e+01 1.713060014e+01 1.887408094e+01 1.884843570e+01 5.138638757e+00 1.121530754e+01 1.763969998e+01 6.019080578e+00 1.057182358e+01 1.78 1.817215483e+01 1.092240228e+01 1.639308840e+01 1.813336956e+01 1.810075072e+01 4.878088495e+00 1.057833434e+01 1.693098585e+01 5.614584372e+00 9.971961448e+00 1.80 1.746428358e+01 1.026005073e+01 1.567229906e+01 1.742029350e+01 1.738333381e+01 4.627853229e+00 9.964647013e+00 1.623984190e+01 5.235593086e+00 9.398886520e+00 1.82 1.677576514e+01 9.611449645e+00 1.496582889e+01 1.673045806e+01 1.669204331e+01 4.386470614e+00 9.374274995e+00 1.556313366e+01 4.880177601e+00 8.855081656e+00 1.84 1.610120602e+01 8.976491292e+00 1.428065167e+01 1.606004784e+01 1.602329050e+01 4.152721386e+00 8.805992095e+00 1.489840351e+01 4.545879104e+00 8.339642160e+00 1.86 1.543669346e+01 8.356551611e+00 1.361757762e+01 1.540528446e+01 1.537327612e+01 3.926952506e+00 8.258619173e+00 1.424378392e+01 4.229920210e+00 7.851490414e+00 1.88 1.478500094e+01 7.752792476e+00 1.297267882e+01 1.476522520e+01 1.474021108e+01 3.708376125e+00 7.731695892e+00 1.359989875e+01 3.930064541e+00 7.391016965e+00 1.90 1.414576887e+01 7.174149298e+00 1.234169824e+01 1.413751856e+01 1.412100791e+01 3.495920307e+00 7.224693250e+00 1.296512186e+01 3.644802606e+00 6.956766141e+00 1.92 1.351702258e+01 6.621871701e+00 1.172094070e+01 1.351969110e+01 1.351268708e+01 3.288495869e+00 6.736446064e+00 1.233786558e+01 3.372455514e+00 6.546290890e+00 1.94 1.289709488e+01 6.094403629e+00 1.110754544e+01 1.290978570e+01 1.291267923e+01 3.084801089e+00 6.266227002e+00 1.171753247e+01 3.111383184e+00 6.157044967e+00 1.96 1.228551163e+01 5.590878866e+00 1.050111727e+01 1.230609243e+01 1.231840149e+01 2.883612727e+00 5.814529425e+00 1.110254127e+01 2.859975036e+00 5.786574518e+00 1.98 1.168054887e+01 5.110514781e+00 9.903494103e+00 1.170757001e+01 1.172867814e+01 2.685710543e+00 5.382302394e+00 1.049209357e+01 2.617435125e+00 5.431930954e+00 2.00 1.108057503e+01 4.653389883e+00 9.315142393e+00 1.111314995e+01 1.114219463e+01 2.491197005e+00 4.971687679e+00 9.886397532e+00 2.383358127e+00 5.089829491e+00 2.02 1.048460656e+01 4.220066172e+00 8.735222010e+00 1.052182930e+01 1.055745273e+01 2.299482956e+00 4.582658085e+00 9.285444297e+00 2.156595278e+00 4.757540219e+00 2.04 9.893567542e+00 3.810502420e+00 8.163539477e+00 9.933478100e+00 9.973680515e+00 2.110274742e+00 4.213679462e+00 8.690932451e+00 1.936097490e+00 4.434708254e+00 2.06 9.307658674e+00 3.423744707e+00 7.600714239e+00 9.347791986e+00 9.390263915e+00 1.923601108e+00 3.862895303e+00 8.114087652e+00 1.721155669e+00 4.120283968e+00 2.08 8.726468896e+00 3.058415243e+00 7.047615840e+00 8.764321076e+00 8.806665656e+00 1.739703547e+00 3.528434152e+00 7.556475793e+00 1.511561705e+00 3.812467085e+00 2.10 8.150600566e+00 2.713345824e+00 6.505278473e+00 8.184285530e+00 8.224119818e+00 1.558593528e+00 3.209220640e+00 7.017417451e+00 1.307522317e+00 3.509945269e+00 2.12 7.594852074e+00 2.389095490e+00 5.984175348e+00 7.623177398e+00 7.658262626e+00 1.384991227e+00 2.908986703e+00 6.501305868e+00 1.112728460e+00 3.218651122e+00 2.14 7.064765912e+00 2.084775327e+00 5.487986103e+00 7.086387382e+00 7.114772278e+00 1.220286491e+00 2.627816280e+00 6.009497191e+00 9.283022607e-01 2.940786433e+00 2.16 6.559173294e+00 1.798905169e+00 5.016518323e+00 6.573141549e+00 6.593382904e+00 1.063976547e+00 2.363754453e+00 5.540815963e+00 7.540422954e-01 2.674982718e+00 2.18 6.076671717e+00 1.530355146e+00 4.569551632e+00 6.083096630e+00 6.094827013e+00 9.156866238e-01 2.115644466e+00 5.094105016e+00 5.895268089e-01 2.419679621e+00 2.20 5.615552682e+00 1.278953582e+00 4.146756107e+00 5.615083561e+00 5.618470355e+00 7.750916085e-01 1.882434542e+00 4.668199378e+00 4.342292404e-01 2.173452317e+00 2.22 5.174008765e+00 1.044088139e+00 3.747706355e+00 5.167781790e+00 5.163420550e+00 6.418028825e-01 1.662419254e+00 4.261894330e+00 2.876466836e-01 1.935305782e+00 2.24 4.751118292e+00 8.250699712e-01 3.372127112e+00 4.740331802e+00 4.729090481e+00 5.154431332e-01 1.453934591e+00 3.875126279e+00 1.493678870e-01 1.704963539e+00 2.26 4.347937877e+00 6.214178991e-01 3.020681488e+00 4.332963444e+00 4.315594046e+00 3.962334686e-01 1.255860587e+00 3.508151846e+00 1.928104926e-02 1.483655149e+00 2.28 3.964185990e+00 4.322231170e-01 2.692507623e+00 3.945299405e+00 3.922642608e+00 2.837342646e-01 1.067148905e+00 3.160522923e+00 -1.028035719e-01 1.271551728e+00 2.30 3.599327575e+00 2.564968467e-01 2.386544222e+00 3.576842480e+00 3.549872553e+00 1.774679847e-01 8.869043604e-01 2.831663209e+00 -2.172027185e-01 1.068576346e+00 2.32 3.252766846e+00 9.324424772e-02 2.101384487e+00 3.227048199e+00 3.196875245e+00 7.682157151e-02 7.146439167e-01 2.520907131e+00 -3.241476872e-01 8.745704732e-01 2.34 2.923928525e+00 -5.847792550e-02 1.835530304e+00 2.895886122e+00 2.863745679e+00 -1.592671733e-02 5.497556870e-01 2.227458485e+00 -4.236377531e-01 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