# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCr # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan -3.921838628e+02 -3.921838628e+02 nan nan 0.84 nan nan nan nan -3.619240345e+02 -3.619240345e+02 nan nan 0.86 nan nan nan nan -3.338074095e+02 -3.338074095e+02 nan nan 0.88 nan nan nan nan -3.077085344e+02 -3.077085344e+02 nan nan 0.90 nan nan nan nan -2.840164519e+02 -2.840164519e+02 nan nan 0.92 -4.338715815e+02 -4.338715815e+02 nan nan -2.622947866e+02 -2.622947866e+02 nan nan 0.94 -4.049401511e+02 -4.049401511e+02 nan nan -2.415095905e+02 -2.415095905e+02 nan nan 0.96 -3.773930787e+02 -3.773930787e+02 nan nan -2.215054241e+02 -2.215054241e+02 nan nan 0.98 -3.521744809e+02 -3.521744809e+02 nan nan -2.026450967e+02 -2.026450967e+02 nan nan 1.00 -3.293207008e+02 -3.293207008e+02 nan nan -1.849938865e+02 -1.849938865e+02 nan nan 1.02 -3.083303855e+02 -3.083303855e+02 nan nan -1.685744401e+02 -1.685744401e+02 nan nan 1.04 -2.890846442e+02 -2.890846442e+02 -3.856662902e+02 -3.856662902e+02 -1.531758609e+02 -1.531758609e+02 -4.069883640e+02 -4.069883640e+02 1.06 -2.715550763e+02 -2.715550763e+02 -3.640267858e+02 -3.640267858e+02 -1.389384530e+02 -1.389384530e+02 -3.837492583e+02 -3.837492583e+02 1.08 -2.551514565e+02 -2.551514565e+02 -3.439067070e+02 -3.439067070e+02 -1.259966217e+02 -1.259966217e+02 -3.616782325e+02 -3.616782325e+02 1.10 -2.394999909e+02 -2.394999909e+02 -3.249613357e+02 -3.249613357e+02 -1.142616598e+02 -1.142616598e+02 -3.405872398e+02 -3.405872398e+02 1.12 -2.248694829e+02 -2.248694829e+02 -3.066692438e+02 -3.066692438e+02 -1.035977174e+02 -1.035977174e+02 -3.206189126e+02 -3.206189126e+02 1.14 -2.114075105e+02 -2.114075105e+02 -2.888776728e+02 -2.888776728e+02 -9.394429266e+01 -9.394429266e+01 -3.019914446e+02 -3.019914446e+02 1.16 -1.989513424e+02 -1.989513424e+02 -2.718430176e+02 -2.718430176e+02 -8.554161883e+01 -8.554161883e+01 -2.849432493e+02 -2.849432493e+02 1.18 -1.871296983e+02 -1.871296983e+02 -2.556917253e+02 -2.556917253e+02 -7.838946145e+01 -7.838946145e+01 -2.693400407e+02 -2.693400407e+02 1.20 -1.755541965e+02 -1.755541965e+02 -2.408652333e+02 -2.408652333e+02 -7.235119999e+01 -7.235119999e+01 -2.550114798e+02 -2.550114798e+02 1.22 -1.641438322e+02 -1.641438322e+02 -2.275018376e+02 -2.275018376e+02 -6.727496309e+01 -6.727496309e+01 -2.417439244e+02 -2.417439244e+02 1.24 -1.530323509e+02 -1.530323509e+02 -2.152757976e+02 -2.152757976e+02 -6.283261115e+01 -6.283261115e+01 -2.293546393e+02 -2.293546393e+02 1.26 -1.422085699e+02 -1.422085699e+02 -2.038068418e+02 -2.038068418e+02 -5.858488908e+01 -5.858488908e+01 -2.177401521e+02 -2.177401521e+02 1.28 -1.316541911e+02 -1.316541911e+02 -1.933352251e+02 -1.933352251e+02 -5.447619644e+01 -5.447619644e+01 -2.066833996e+02 -2.066833996e+02 1.30 -1.212685959e+02 -1.212685959e+02 -1.834682742e+02 -1.834682742e+02 -5.050771355e+01 -5.050771355e+01 -1.959906987e+02 -1.959906987e+02 1.32 -1.111374843e+02 -1.111374843e+02 -1.740570499e+02 -1.740570499e+02 -4.671056272e+01 -4.671056272e+01 -1.856429770e+02 -1.856429770e+02 1.34 -1.011953041e+02 -1.011953041e+02 -1.648786244e+02 -1.648786244e+02 -4.300852670e+01 -4.300852670e+01 -1.756680960e+02 -1.756680960e+02 1.36 -9.174748560e+01 -9.174748560e+01 -1.560510464e+02 -1.560510464e+02 -3.938327931e+01 -3.938327931e+01 -1.660634930e+02 -1.660634930e+02 1.38 -8.296229569e+01 -8.296229569e+01 -1.475766474e+02 -1.475766474e+02 -3.577715308e+01 -3.577715308e+01 -1.568384131e+02 -1.568384131e+02 1.40 -7.501838939e+01 -7.501838939e+01 -1.396120426e+02 -1.396120426e+02 -3.237861731e+01 -3.237861731e+01 -1.480643728e+02 -1.480643728e+02 1.42 -6.802009214e+01 -6.802009214e+01 -1.318457464e+02 -1.318457464e+02 -2.905959486e+01 -2.905959486e+01 -1.397753500e+02 -1.397753500e+02 1.44 -6.177829540e+01 -6.177829540e+01 -1.240954607e+02 -1.240954607e+02 -2.580090504e+01 -2.580090504e+01 -1.318976296e+02 -1.318976296e+02 1.46 -5.612987708e+01 -5.612987708e+01 -1.164094617e+02 -1.164094617e+02 -2.254503735e+01 -2.254503735e+01 -1.242502321e+02 -1.242502321e+02 1.48 -5.082477657e+01 -5.082477657e+01 -1.086237211e+02 -1.086237211e+02 -1.917209480e+01 -1.917209480e+01 -1.167004617e+02 -1.167004617e+02 1.50 -4.583771898e+01 -4.583771898e+01 -1.008721687e+02 -1.008721687e+02 -1.566986153e+01 -1.566986153e+01 -1.092501184e+02 -1.092501184e+02 1.52 -4.118050358e+01 -4.118050358e+01 -9.324604260e+01 -9.324604260e+01 -1.232076845e+01 -1.232076845e+01 -1.019134748e+02 -1.019134748e+02 1.54 -3.686239379e+01 -3.686239379e+01 -8.577476268e+01 -8.577476268e+01 -9.457565842e+00 -9.457565842e+00 -9.464866898e+01 -9.464866898e+01 1.56 -3.287258314e+01 -3.287258314e+01 -7.840798527e+01 -7.840798527e+01 -7.201572087e+00 -7.201572087e+00 -8.747042876e+01 -8.747042876e+01 1.58 -2.918026181e+01 -2.918026181e+01 -7.110158780e+01 -7.110158780e+01 -5.456462381e+00 -5.456462381e+00 -8.037948377e+01 -8.037948377e+01 1.60 -2.574554363e+01 -2.574554363e+01 -6.376858005e+01 -6.376858005e+01 -4.136119298e+00 -4.136119298e+00 -7.340853986e+01 -7.340853986e+01 1.62 -2.267327595e+01 -2.267327595e+01 -5.640242341e+01 -5.640242341e+01 -3.156463261e+00 -3.156463261e+00 -6.659171947e+01 -6.659171947e+01 1.64 -1.971733351e+01 -1.971733351e+01 -4.917637369e+01 -4.917637369e+01 -2.452599030e+00 -2.452599030e+00 -5.983292389e+01 -5.983292389e+01 1.66 -1.689041426e+01 -1.689041426e+01 -4.234824058e+01 -4.234824058e+01 -1.943488738e+00 -1.943488738e+00 -5.320779651e+01 -5.320779651e+01 1.68 -1.423754115e+01 -1.423754115e+01 -3.592261458e+01 -3.592261458e+01 -1.550260336e+00 -1.550260336e+00 -4.673750348e+01 -4.673750348e+01 1.70 -1.179637257e+01 -1.179637257e+01 -2.993829620e+01 -2.993829620e+01 -1.203667985e+00 -1.203667985e+00 -4.052445653e+01 -4.052445653e+01 1.72 -9.699757121e+00 -9.699757121e+00 -2.438473705e+01 -2.438473705e+01 -8.912711237e-01 -8.912711237e-01 -3.458135329e+01 -3.458135329e+01 1.74 -7.943521603e+00 -7.943521603e+00 -1.932362254e+01 -1.932362254e+01 -7.049106744e-01 -7.049106744e-01 -2.895918065e+01 -2.895918065e+01 1.76 -6.481428262e+00 -6.481428262e+00 -1.475300820e+01 -1.475300820e+01 -6.417063210e-01 -6.417063210e-01 -2.365018334e+01 -2.365018334e+01 1.78 -5.286540358e+00 -5.286540358e+00 -1.059413139e+01 -1.059413139e+01 -6.511655317e-01 -6.511655317e-01 -1.867094811e+01 -1.867094811e+01 1.80 -4.319217251e+00 -4.319217251e+00 -7.155038710e+00 -7.155038710e+00 -6.837972266e-01 -6.837972266e-01 -1.404910975e+01 -1.404910975e+01 1.82 -3.555142121e+00 -3.555142121e+00 -4.693215940e+00 -4.693215940e+00 -7.159876446e-01 -7.159876446e-01 -9.818930317e+00 -9.818930317e+00 1.84 -2.952621005e+00 -2.952621005e+00 -2.994130052e+00 -2.994130052e+00 -7.446399021e-01 -7.446399021e-01 -6.433815786e+00 -6.433815786e+00 1.86 -2.498286020e+00 -2.498286020e+00 -1.872715632e+00 -1.872715632e+00 -7.767064891e-01 -7.767064891e-01 -4.085677323e+00 -4.085677323e+00 1.88 -2.172398453e+00 -2.172398453e+00 -1.191326505e+00 -1.191326505e+00 -8.138797918e-01 -8.138797918e-01 -2.516940840e+00 -2.516940840e+00 1.90 -1.951498456e+00 -1.951498456e+00 -8.295819803e-01 -8.295819803e-01 -8.592268281e-01 -8.592268281e-01 -1.519647070e+00 -1.519647070e+00 1.92 -1.812871218e+00 -1.812871218e+00 -6.899380036e-01 -6.899380036e-01 -9.147562660e-01 -9.147562660e-01 -9.346281176e-01 -9.346281176e-01 1.94 -1.735747211e+00 -1.735747211e+00 -7.025652547e-01 -7.025652547e-01 -9.810718455e-01 -9.810718455e-01 -6.446385845e-01 -6.446385845e-01 1.96 -1.701005441e+00 -1.701005441e+00 -8.196916316e-01 -8.196916316e-01 -1.057138255e+00 -1.057138255e+00 -5.563368933e-01 -5.563368933e-01 1.98 -1.689594038e+00 -1.689594038e+00 -1.006383677e+00 -1.006383677e+00 -1.141544208e+00 -1.141544208e+00 -6.024263316e-01 -6.024263316e-01 2.00 -1.694033057e+00 -1.694033057e+00 -1.235307259e+00 -1.235309106e+00 -1.230128674e+00 -1.230128687e+00 -7.386104442e-01 -7.386104442e-01 2.02 -1.739447958e+00 -1.739447958e+00 -1.483985928e+00 -1.483985928e+00 -1.320570944e+00 -1.320570944e+00 -9.337851815e-01 -9.337851815e-01 2.04 -1.847322317e+00 -1.847322317e+00 -1.745888542e+00 -1.745888542e+00 -1.415650781e+00 -1.415650781e+00 -1.169134609e+00 -1.169134609e+00 2.06 -2.009610687e+00 -2.009610687e+00 -2.009924251e+00 -2.009924251e+00 -1.512847282e+00 -1.512847282e+00 -1.429282562e+00 -1.429282562e+00 2.08 -2.203498735e+00 -2.203498735e+00 -2.270403135e+00 -2.270403135e+00 -1.611611089e+00 -1.611611089e+00 -1.700925990e+00 -1.700925990e+00 2.10 -2.407668466e+00 -2.407668466e+00 -2.522914802e+00 -2.522914802e+00 -1.711343014e+00 -1.711343014e+00 -1.975014059e+00 -1.975014059e+00 2.12 -2.605662825e+00 -2.605662825e+00 -2.764086038e+00 -2.764086038e+00 -1.811562205e+00 -1.811562205e+00 -2.240265731e+00 -2.240265731e+00 2.14 -2.780937665e+00 -2.780937665e+00 -2.981763027e+00 -2.981763027e+00 -1.898752807e+00 -1.898752807e+00 -2.488692092e+00 -2.488692092e+00 2.16 -2.941734986e+00 -2.941734986e+00 -3.184667315e+00 -3.184667315e+00 -1.987522793e+00 -1.987522793e+00 -2.719587475e+00 -2.719587475e+00 2.18 -3.084586245e+00 -3.084586245e+00 -3.365717260e+00 -3.365717260e+00 -2.070014638e+00 -2.070014638e+00 -2.935600950e+00 -2.935600950e+00 2.20 -3.209394868e+00 -3.209394868e+00 -3.521322444e+00 -3.521322444e+00 -2.143978322e+00 -2.143978322e+00 -3.134044942e+00 -3.134044942e+00 2.22 -3.315910225e+00 -3.315910225e+00 -3.650545964e+00 -3.650545964e+00 -2.207815639e+00 -2.207815639e+00 -3.319341868e+00 -3.319341868e+00 2.24 -3.404870608e+00 -3.404870608e+00 -3.756330086e+00 -3.756330086e+00 -2.261652091e+00 -2.261652091e+00 -3.486299072e+00 -3.486299072e+00 2.26 -3.476257632e+00 -3.476257632e+00 -3.842701096e+00 -3.842701096e+00 -2.305922183e+00 -2.305922183e+00 -3.640207552e+00 -3.640207552e+00 2.28 -3.529975273e+00 -3.529975273e+00 -3.914258117e+00 -3.914258117e+00 -2.341291075e+00 -2.341291075e+00 -3.778014989e+00 -3.778014989e+00 2.30 -3.566336293e+00 -3.566336293e+00 -3.975039632e+00 -3.975039632e+00 -2.368660068e+00 -2.368660068e+00 -3.892823621e+00 -3.892823621e+00 2.32 -3.586061401e+00 -3.586061401e+00 -4.028286991e+00 -4.028286991e+00 -2.389058093e+00 -2.389058093e+00 -3.992909761e+00 -3.992909761e+00 2.34 -3.590530440e+00 -3.590530440e+00 -4.062916106e+00 -4.062916106e+00 -2.403513458e+00 -2.403513458e+00 -4.076624413e+00 -4.076624413e+00 2.36 -3.581902358e+00 -3.581902358e+00 -4.100125635e+00 -4.100125635e+00 -2.412941526e+00 -2.412941526e+00 -4.145598801e+00 -4.145598801e+00 2.38 -3.562896887e+00 -3.562896887e+00 -4.135416563e+00 -4.135416563e+00 -2.418056939e+00 -2.418056939e+00 -4.201417012e+00 -4.201417012e+00 2.40 -3.536410343e+00 -3.536410343e+00 -4.155055258e+00 -4.155055258e+00 -2.414560408e+00 -2.414560408e+00 -4.245412087e+00 -4.245412087e+00 2.42 -3.505165904e+00 -3.505165904e+00 -4.177552802e+00 -4.177552802e+00 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-2.283879347e+00 -2.283879347e+00 -4.229776609e+00 -4.229776609e+00 2.58 -3.159755103e+00 -3.159755103e+00 -4.152096308e+00 -4.152096308e+00 -2.256437178e+00 -2.256437178e+00 -4.200911598e+00 -4.200911598e+00 2.60 -3.111559187e+00 -3.111559187e+00 -4.119196508e+00 -4.119196508e+00 -2.225298473e+00 -2.225298473e+00 -4.164962359e+00 -4.164962359e+00 2.62 -3.063615494e+00 -3.063615494e+00 -4.080569364e+00 -4.080569364e+00 -2.192819848e+00 -2.192819848e+00 -4.123671283e+00 -4.123671283e+00 2.64 -3.016545475e+00 -3.016545475e+00 -4.035656334e+00 -4.035656334e+00 -2.158509994e+00 -2.158509994e+00 -4.081479083e+00 -4.081479083e+00 2.66 -2.970936675e+00 -2.970936675e+00 -3.984974411e+00 -3.984974411e+00 -2.122646020e+00 -2.122646020e+00 -4.036659106e+00 -4.036659106e+00 2.68 -2.927339522e+00 -2.927339522e+00 -3.928980696e+00 -3.928980696e+00 -2.085492003e+00 -2.085492003e+00 -3.989851236e+00 -3.989851236e+00 2.70 -2.874986402e+00 -2.874986402e+00 -3.868122907e+00 -3.868122907e+00 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