# 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 = Cr2CuFe # 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 2024-11-27 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 -4.514566397e+02 -4.514566397e+02 1.06 -4.257264990e+02 -4.257264990e+02 1.08 -4.017970097e+02 -4.017970097e+02 1.10 -3.794012809e+02 -3.794012809e+02 1.12 -3.580409659e+02 -3.580409659e+02 1.14 -3.375236542e+02 -3.375236542e+02 1.16 -3.178390653e+02 -3.178390653e+02 1.18 -2.990643396e+02 -2.990643396e+02 1.20 -2.816622792e+02 -2.816622792e+02 1.22 -2.657516344e+02 -2.657516344e+02 1.24 -2.510514576e+02 -2.510514576e+02 1.26 -2.373159145e+02 -2.373159145e+02 1.28 -2.247423410e+02 -2.247423410e+02 1.30 -2.129510236e+02 -2.129510236e+02 1.32 -2.017416980e+02 -2.017416980e+02 1.34 -1.909093555e+02 -1.909093555e+02 1.36 -1.805483692e+02 -1.805483692e+02 1.38 -1.706939980e+02 -1.706939980e+02 1.40 -1.613880200e+02 -1.613880200e+02 1.42 -1.523578042e+02 -1.523578042e+02 1.44 -1.433840590e+02 -1.433840590e+02 1.46 -1.345025817e+02 -1.345025817e+02 1.48 -1.256277425e+02 -1.256277425e+02 1.50 -1.168948671e+02 -1.168948671e+02 1.52 -1.083763923e+02 -1.083763923e+02 1.54 -1.000622044e+02 -1.000622044e+02 1.56 -9.186736309e+01 -9.186736309e+01 1.58 -8.373044391e+01 -8.373044391e+01 1.60 -7.556187336e+01 -7.556187336e+01 1.62 -6.741067150e+01 -6.741067150e+01 1.64 -5.946972872e+01 -5.946972872e+01 1.66 -5.196296761e+01 -5.196296761e+01 1.68 -4.495198137e+01 -4.495198137e+01 1.70 -3.845641604e+01 -3.845641604e+01 1.72 -3.245929649e+01 -3.245929649e+01 1.74 -2.700449197e+01 -2.700449197e+01 1.76 -2.206250990e+01 -2.206250990e+01 1.78 -1.757222816e+01 -1.757222816e+01 1.80 -1.352077826e+01 -1.352077826e+01 1.82 -1.005190298e+01 -1.005190298e+01 1.84 -7.242375614e+00 -7.242375614e+00 1.86 -5.166436845e+00 -5.166436845e+00 1.88 -3.722482997e+00 -3.722482997e+00 1.90 -2.755515242e+00 -2.755515242e+00 1.92 -2.130870982e+00 -2.130870982e+00 1.94 -1.750759008e+00 -1.750759008e+00 1.96 -1.554724878e+00 -1.554724878e+00 1.98 -1.501943475e+00 -1.501943475e+00 2.00 -1.564674029e+00 -1.564674524e+00 2.02 -1.713635041e+00 -1.713635041e+00 2.04 -1.916192772e+00 -1.916192772e+00 2.06 -2.151671944e+00 -2.151671944e+00 2.08 -2.398283613e+00 -2.398283613e+00 2.10 -2.637565351e+00 -2.637565351e+00 2.12 -2.857419845e+00 -2.857419845e+00 2.14 -3.050916859e+00 -3.050916859e+00 2.16 -3.219151208e+00 -3.219151208e+00 2.18 -3.363391197e+00 -3.363391197e+00 2.20 -3.483970375e+00 -3.483970375e+00 2.22 -3.581298743e+00 -3.581298743e+00 2.24 -3.658131661e+00 -3.658131661e+00 2.26 -3.719358933e+00 -3.719358933e+00 2.28 -3.771238733e+00 -3.771238733e+00 2.30 -3.817466034e+00 -3.817466034e+00 2.32 -3.860591795e+00 -3.860591795e+00 2.34 -3.900409131e+00 -3.900409131e+00 2.36 -3.933615983e+00 -3.933615983e+00 2.38 -3.959379987e+00 -3.959379987e+00 2.40 -3.979302325e+00 -3.979302325e+00 2.42 -3.989810189e+00 -3.989810189e+00 2.44 -3.992528799e+00 -3.992528799e+00 2.46 -3.987551819e+00 -3.987551819e+00 2.48 -3.975917531e+00 -3.975917531e+00 2.50 -3.959364489e+00 -3.959364489e+00 2.52 -3.938852484e+00 -3.938852484e+00 2.54 -3.914667709e+00 -3.914667709e+00 2.56 -3.887023032e+00 -3.887023032e+00 2.58 -3.856278796e+00 -3.856278796e+00 2.60 -3.823128318e+00 -3.823128318e+00 2.62 -3.787818388e+00 -3.787818388e+00 2.64 -3.750808255e+00 -3.750808255e+00 2.66 -3.712353675e+00 -3.712353675e+00 2.68 -3.672451010e+00 -3.672451010e+00 2.70 -3.630966048e+00 -3.630966048e+00 2.72 -3.587784611e+00 -3.587784611e+00 2.74 -3.542857055e+00 -3.542857055e+00 2.76 -3.496199394e+00 -3.496199394e+00 2.78 -3.447903277e+00 -3.447903277e+00 2.80 -3.398030300e+00 -3.398030300e+00 2.82 -3.346567285e+00 -3.346567285e+00 2.84 -3.293472434e+00 -3.293472434e+00 2.86 -3.238843809e+00 -3.238843809e+00 2.88 -3.183041582e+00 -3.183041582e+00 2.90 -3.126570036e+00 -3.126570036e+00 2.92 -3.069551951e+00 -3.069551951e+00 2.94 -3.011909827e+00 -3.011909827e+00 2.96 -2.953627413e+00 -2.953627413e+00 2.98 -2.894777706e+00 -2.894777706e+00 3.00 -2.835393206e+00 -2.835393208e+00 3.02 -2.775241216e+00 -2.775241216e+00 3.04 -2.713645564e+00 -2.713645564e+00 3.06 -2.648471270e+00 -2.648471270e+00 3.08 -2.577997145e+00 -2.577997145e+00 3.10 -2.500486527e+00 -2.500486527e+00 3.12 -2.414287010e+00 -2.414287010e+00 3.14 -2.322156820e+00 -2.322156820e+00 3.16 -2.217340554e+00 -2.217340554e+00 3.18 -2.100841485e+00 -2.100841485e+00 3.20 -1.971256763e+00 -1.971256763e+00 3.22 -1.827119334e+00 -1.827119334e+00 3.24 -1.667305952e+00 -1.667305952e+00 3.26 -1.491793435e+00 -1.491793435e+00 3.28 -1.305435251e+00 -1.305435251e+00 3.30 -1.115370160e+00 -1.115370160e+00 3.32 -9.277879234e-01 -9.277879234e-01 3.34 -7.473138561e-01 -7.473138561e-01 3.36 -5.769608496e-01 -5.769608496e-01 3.38 -4.182162206e-01 -4.182162206e-01 3.40 -2.712142270e-01 -2.712142270e-01 3.42 -1.353226191e-01 -1.353226191e-01 3.44 -9.702448445e-03 -9.702448445e-03 3.46 1.063268451e-01 1.063268451e-01 3.48 2.131341197e-01 2.131341197e-01 3.50 3.107831421e-01 3.107831421e-01 3.52 3.991277017e-01 3.991277017e-01 3.54 4.779364517e-01 4.779364517e-01 3.56 5.470052640e-01 5.470052640e-01 3.58 6.062294788e-01 6.062294788e-01 3.60 6.556308200e-01 6.556308200e-01 3.62 6.953632694e-01 6.953632694e-01 3.64 7.257137626e-01 7.257137626e-01 3.66 7.470877602e-01 7.470877602e-01 3.68 7.532708814e-01 7.532708814e-01 3.70 7.530118526e-01 7.530118526e-01 3.72 7.429965817e-01 7.429965817e-01 3.74 7.233194268e-01 7.233194268e-01 3.76 6.940891348e-01 6.940891348e-01 3.78 6.554266217e-01 6.554266217e-01 3.80 6.074631524e-01 6.074631524e-01 3.82 5.503383117e-01 5.503383117e-01 3.84 4.841991680e-01 4.841991680e-01 3.86 4.092128373e-01 4.092128373e-01 3.88 3.256985966e-01 3.256985966e-01 3.90 2.341312994e-01 2.341312994e-01 3.92 1.350948544e-01 1.350948544e-01 3.94 2.922741049e-02 2.922741049e-02 3.96 -8.284609435e-02 -8.284609435e-02 3.98 -2.004468031e-01 -2.004468031e-01 4.00 -3.070660939e-01 -3.070660939e-01 4.02 -3.117306450e-01 -3.117306450e-01 4.04 -1.187916462e-01 -1.187916462e-01 4.06 3.448266014e-01 3.448266014e-01 4.08 1.130096994e+00 1.130096994e+00 4.10 2.266572609e+00 2.266572609e+00 4.12 3.763314788e+00 3.763314788e+00 4.14 5.610032107e+00 5.610032107e+00 4.16 7.778479698e+00 7.778479698e+00 4.18 1.022409211e+01 1.022409211e+01 4.20 1.288785022e+01 1.288785022e+01 4.22 1.569842223e+01 1.569842223e+01 4.24 1.857457695e+01 1.857457695e+01 4.26 2.142786342e+01 2.142786342e+01 4.28 2.416559232e+01 2.416559232e+01 4.30 2.669403100e+01 2.669403100e+01 4.32 2.892187132e+01 2.892187132e+01 4.34 3.076392570e+01 3.076392570e+01 4.36 3.214502842e+01 3.214502842e+01 4.38 3.300384973e+01 3.300384973e+01 4.40 3.329687061e+01 3.329687061e+01 4.42 3.300181306e+01 3.300181306e+01 4.44 3.212065626e+01 3.212065626e+01 4.46 3.068158937e+01 3.068158937e+01 4.48 2.873969899e+01 2.873969899e+01 4.50 2.637564436e+01 2.637564436e+01 4.52 2.369335158e+01 2.369335158e+01 4.54 2.082247214e+01 2.082247214e+01 4.56 1.790306948e+01 1.790306948e+01 4.58 1.506607173e+01 1.506607173e+01 4.60 1.242218390e+01 1.242218390e+01 4.62 1.005388765e+01 1.005388765e+01 4.64 8.011067116e+00 8.011067116e+00 4.66 6.311001288e+00 6.311001288e+00 4.68 4.942714148e+00 4.942714148e+00 4.70 3.874439387e+00 3.874439387e+00 4.72 3.062376624e+00 3.062376624e+00 4.74 2.458763610e+00 2.458763610e+00 4.76 2.017937538e+00 2.017937538e+00 4.78 1.699847304e+00 1.699847304e+00 4.80 1.471364920e+00 1.471364920e+00 4.82 1.306085806e+00 1.306085806e+00 4.84 1.183448054e+00 1.183448054e+00 4.86 1.087721425e+00 1.087721425e+00 4.88 1.007150855e+00 1.007150855e+00 4.90 9.333562442e-01 9.333562442e-01 4.92 8.608575193e-01 8.608575193e-01 4.94 7.866519086e-01 7.866519086e-01 4.96 7.097660882e-01 7.097660882e-01 4.98 6.307291093e-01 6.307291093e-01 5.00 5.510276270e-01 5.510276270e-01 5.02 4.725827685e-01 4.725827685e-01 5.04 3.972965723e-01 3.972965723e-01 5.06 3.267491803e-01 3.267491803e-01 5.08 2.620889868e-01 2.620889868e-01 5.10 2.040459910e-01 2.040459910e-01 5.12 1.529698561e-01 1.529698561e-01 5.14 1.088721961e-01 1.088721961e-01 5.16 7.148716215e-02 7.148716215e-02 5.18 4.033741764e-02 4.033741764e-02 5.20 -1.320943242e-02 -1.320943242e-02 5.22 -3.687196177e-02 -3.687196177e-02 5.24 -5.475776304e-02 -5.475776304e-02 5.26 -6.730012261e-02 -6.730012261e-02 5.28 -7.500635869e-02 -7.500635869e-02 5.30 -7.845793036e-02 -7.845793036e-02 5.32 -7.830168424e-02 -7.830168424e-02 5.34 -7.523128759e-02 -7.523128759e-02 5.36 -6.995916290e-02 -6.995916290e-02 5.38 -6.318258278e-02 -6.318258278e-02 5.40 -5.554776627e-02 -5.554776627e-02 5.42 -4.761746087e-02 -4.761746087e-02 5.44 -3.984886398e-02 -3.984886398e-02 5.46 -3.258234156e-02 -3.258234156e-02 5.48 -2.604291636e-02 -2.604291636e-02 5.50 -2.035279173e-02 -2.035279173e-02 5.52 -1.554999273e-02 -1.554999273e-02 5.54 -1.160852263e-02 -1.160852263e-02 5.56 -8.458884882e-03 -8.458884882e-03 5.58 -6.006386630e-03 -6.006386630e-03 5.60 -4.146142633e-03 -4.146142633e-03 5.62 -2.772541295e-03 -2.772541295e-03 5.64 -1.787306581e-03 -1.787306581e-03 5.66 -1.102547587e-03 -1.102547587e-03 5.68 -6.433535027e-04 -6.433535027e-04 5.70 -3.488400695e-04 -3.488400695e-04 5.72 -1.703822528e-04 -1.703822528e-04 5.74 -7.051213675e-05 -7.051213675e-05 5.76 -2.169696892e-05 -2.169696892e-05 5.78 -3.296025972e-06 -3.296025972e-06 5.80 -1.386181705e-08 -1.386181705e-08 5.82 1.082708307e-06 1.082708307e-06 5.84 1.177254198e-05 1.177254198e-05 5.86 4.423086126e-05 4.423086126e-05 5.88 1.100938896e-04 1.100938896e-04 5.90 2.215362339e-04 2.215362339e-04 5.92 3.902006540e-04 3.902006540e-04 5.94 6.282671534e-04 6.282671534e-04 5.96 9.477421792e-04 9.477421792e-04 5.98 1.360291788e-03 1.360291788e-03 6.00 8.954690851e-04 9.083670612e-04