# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CrMnNi2 # 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 nan nan 1.06 nan nan 1.08 nan nan 1.10 2.961843638e+04 2.961843638e+04 1.12 2.381926762e+04 2.381926762e+04 1.14 1.922593468e+04 1.922593468e+04 1.16 1.557313847e+04 1.557313847e+04 1.18 1.265709039e+04 1.265709039e+04 1.20 1.032054109e+04 1.032054109e+04 1.22 8.441621955e+03 8.441621955e+03 1.24 6.925484675e+03 6.925484675e+03 1.26 5.698009201e+03 5.698009201e+03 1.28 4.701044648e+03 4.701044648e+03 1.30 3.888793060e+03 3.888793060e+03 1.32 3.225052789e+03 3.225052789e+03 1.34 2.681105477e+03 2.681105477e+03 1.36 2.234089242e+03 2.234089242e+03 1.38 1.865743664e+03 1.865743664e+03 1.40 1.561436519e+03 1.561436519e+03 1.42 1.309405330e+03 1.309405330e+03 1.44 1.100165375e+03 1.100165375e+03 1.46 9.260464822e+02 9.260464822e+02 1.48 7.808282035e+02 7.808282035e+02 1.50 6.594520190e+02 6.594520190e+02 1.52 5.577926997e+02 5.577926997e+02 1.54 4.724772770e+02 4.724772770e+02 1.56 4.007407150e+02 4.007407150e+02 1.58 3.403105954e+02 3.403105954e+02 1.60 2.893152062e+02 2.893152062e+02 1.62 2.462090392e+02 2.462090392e+02 1.64 2.097125163e+02 2.097125163e+02 1.66 1.787641660e+02 1.787641660e+02 1.68 1.524816391e+02 1.524816391e+02 1.70 1.301299705e+02 1.301299705e+02 1.72 1.110958225e+02 1.110958225e+02 1.74 9.486644107e+01 9.486644107e+01 1.76 8.101222414e+01 8.101222414e+01 1.78 6.917237117e+01 6.917237117e+01 1.80 5.904344258e+01 5.904344258e+01 1.82 5.036989063e+01 5.036989063e+01 1.84 4.293603289e+01 4.293603289e+01 1.86 3.655959377e+01 3.655959377e+01 1.88 3.108636589e+01 3.108636589e+01 1.90 2.638572823e+01 2.638572823e+01 1.92 2.234691537e+01 2.234691537e+01 1.94 1.887572510e+01 1.887572510e+01 1.96 1.589177138e+01 1.589177138e+01 1.98 1.332627733e+01 1.332627733e+01 2.00 1.112048674e+01 1.112048674e+01 2.02 9.224186708e+00 9.224186708e+00 2.04 7.594426601e+00 7.594426601e+00 2.06 6.194333117e+00 6.194333117e+00 2.08 4.992274436e+00 4.992274436e+00 2.10 3.961091496e+00 3.961091496e+00 2.12 3.077426482e+00 3.077426482e+00 2.14 2.321178829e+00 2.321178829e+00 2.16 1.675045399e+00 1.675045399e+00 2.18 1.124131144e+00 1.124131144e+00 2.20 6.556192041e-01 6.556192041e-01 2.22 2.584515330e-01 2.584515330e-01 2.24 -7.704434418e-02 -7.704434418e-02 2.26 -3.592639094e-01 -3.592639094e-01 2.28 -5.954667217e-01 -5.954667217e-01 2.30 -7.919324505e-01 -7.919324505e-01 2.32 -9.540881339e-01 -9.540881339e-01 2.34 -1.086617248e+00 -1.086617248e+00 2.36 -1.193606655e+00 -1.193606655e+00 2.38 -1.278672829e+00 -1.278672829e+00 2.40 -1.344964873e+00 -1.344964873e+00 2.42 -1.395216918e+00 -1.395216918e+00 2.44 -1.431798903e+00 -1.431798903e+00 2.46 -1.456760037e+00 -1.456760037e+00 2.48 -1.471865979e+00 -1.471865979e+00 2.50 -1.478630619e+00 -1.478630619e+00 2.52 -1.478343211e+00 -1.478343211e+00 2.54 -1.472091510e+00 -1.472091510e+00 2.56 -1.460781579e+00 -1.460781579e+00 2.58 -1.445185886e+00 -1.445185886e+00 2.60 -1.426003561e+00 -1.426003561e+00 2.62 -1.403819646e+00 -1.403819646e+00 2.64 -1.379126110e+00 -1.379126110e+00 2.66 -1.352393743e+00 -1.352393743e+00 2.68 -1.324049555e+00 -1.324049555e+00 2.70 -1.294461713e+00 -1.294461713e+00 2.72 -1.263932471e+00 -1.263932471e+00 2.74 -1.232708461e+00 -1.232708461e+00 2.76 -1.201001247e+00 -1.201001247e+00 2.78 -1.168992260e+00 -1.168992260e+00 2.80 -1.136836525e+00 -1.136836525e+00 2.82 -1.104665823e+00 -1.104665823e+00 2.84 -1.072591389e+00 -1.072591389e+00 2.86 -1.040706194e+00 -1.040706194e+00 2.88 -1.009091365e+00 -1.009091365e+00 2.90 -9.778277771e-01 -9.778277771e-01 2.92 -9.469885263e-01 -9.469885263e-01 2.94 -9.166380028e-01 -9.166380028e-01 2.96 -8.868329532e-01 -8.868329532e-01 2.98 -8.576233550e-01 -8.576233550e-01 3.00 -8.290531273e-01 -8.290531273e-01 3.02 -8.011606974e-01 -8.011606974e-01 3.04 -7.739794415e-01 -7.739794415e-01 3.06 -7.475380136e-01 -7.475380136e-01 3.08 -7.218605782e-01 -7.218605782e-01 3.10 -6.969669569e-01 -6.969669569e-01 3.12 -6.728727000e-01 -6.728727000e-01 3.14 -6.495890920e-01 -6.495890920e-01 3.16 -6.271230483e-01 -6.271230483e-01 3.18 -6.054736489e-01 -6.054736489e-01 3.20 -5.846305257e-01 -5.846305257e-01 3.22 -5.645793479e-01 -5.645793479e-01 3.24 -5.453020896e-01 -5.453020896e-01 3.26 -5.267767132e-01 -5.267767132e-01 3.28 -5.089768253e-01 -5.089768253e-01 3.30 -4.918713090e-01 -4.918713090e-01 3.32 -4.754268131e-01 -4.754268131e-01 3.34 -4.596168199e-01 -4.596168199e-01 3.36 -4.444141121e-01 -4.444141121e-01 3.38 -4.297877918e-01 -4.297877918e-01 3.40 -4.157029634e-01 -4.157029634e-01 3.42 -4.021204044e-01 -4.021204044e-01 3.44 -3.889962275e-01 -3.889962275e-01 3.46 -3.762837187e-01 -3.762837187e-01 3.48 -3.639577430e-01 -3.639577430e-01 3.50 -3.520093899e-01 -3.520093899e-01 3.52 -3.404306208e-01 -3.404306208e-01 3.54 -3.292139441e-01 -3.292139441e-01 3.56 -3.183523615e-01 -3.183523615e-01 3.58 -3.078393124e-01 -3.078393124e-01 3.60 -2.976686128e-01 -2.976686128e-01 3.62 -2.878343929e-01 -2.878343929e-01 3.64 -2.783310312e-01 -2.783310312e-01 3.66 -2.691530868e-01 -2.691530868e-01 3.68 -2.602952297e-01 -2.602952297e-01 3.70 -2.517521694e-01 -2.517521694e-01 3.72 -2.435185824e-01 -2.435185824e-01 3.74 -2.355890378e-01 -2.355890378e-01 3.76 -2.279579227e-01 -2.279579227e-01 3.78 -2.206193662e-01 -2.206193662e-01 3.80 -2.135671631e-01 -2.135671631e-01 3.82 -2.067946964e-01 -2.067946964e-01 3.84 -2.002948597e-01 -2.002948597e-01 3.86 -1.940599796e-01 -1.940599796e-01 3.88 -1.880817367e-01 -1.880817367e-01 3.90 -1.823510875e-01 -1.823510875e-01 3.92 -1.768581854e-01 -1.768581854e-01 3.94 -1.715923016e-01 -1.715923016e-01 3.96 -1.665417465e-01 -1.665417465e-01 3.98 -1.616937903e-01 -1.616937903e-01 4.00 -1.570345842e-01 -1.570345842e-01 4.02 -1.525490812e-01 -1.525490812e-01 4.04 -1.482209569e-01 -1.482209569e-01 4.06 -1.440343255e-01 -1.440343255e-01 4.08 -1.399815674e-01 -1.399815674e-01 4.10 -1.360580154e-01 -1.360580154e-01 4.12 -1.322591724e-01 -1.322591724e-01 4.14 -1.285807040e-01 -1.285807040e-01 4.16 -1.250184333e-01 -1.250184333e-01 4.18 -1.215683353e-01 -1.215683353e-01 4.20 -1.182265315e-01 -1.182265315e-01 4.22 -1.149892845e-01 -1.149892845e-01 4.24 -1.118529934e-01 -1.118529934e-01 4.26 -1.088141883e-01 -1.088141883e-01 4.28 -1.058695262e-01 -1.058695262e-01 4.30 -1.030157859e-01 -1.030157859e-01 4.32 -1.002498635e-01 -1.002498635e-01 4.34 -9.756876853e-02 -9.756876853e-02 4.36 -9.496961921e-02 -9.496961921e-02 4.38 -9.244963880e-02 -9.244963880e-02 4.40 -9.000615154e-02 -9.000615154e-02 4.42 -8.763657887e-02 -8.763657887e-02 4.44 -8.533843584e-02 -8.533843584e-02 4.46 -8.310932756e-02 -8.310932756e-02 4.48 -8.094665863e-02 -8.094665863e-02 4.50 -7.884682123e-02 -7.884682123e-02 4.52 -7.680615641e-02 -7.680615641e-02 4.54 -7.482125037e-02 -7.482125037e-02 4.56 -7.288892598e-02 -7.288892598e-02 4.58 -7.100623428e-02 -7.100623428e-02 4.60 -6.917044615e-02 -6.917044615e-02 4.62 -6.737904403e-02 -6.737904403e-02 4.64 -6.562971364e-02 -6.562971364e-02 4.66 -6.392033585e-02 -6.392033585e-02 4.68 -6.224897853e-02 -6.224897853e-02 4.70 -6.061388856e-02 -6.061388856e-02 4.72 -5.901348380e-02 -5.901348380e-02 4.74 -5.744634518e-02 -5.744634518e-02 4.76 -5.591120881e-02 -5.591120881e-02 4.78 -5.440695818e-02 -5.440695818e-02 4.80 -5.293261638e-02 -5.293261638e-02 4.82 -5.148733837e-02 -5.148733837e-02 4.84 -5.007040332e-02 -5.007040332e-02 4.86 -4.868120699e-02 -4.868120699e-02 4.88 -4.731925412e-02 -4.731925412e-02 4.90 -4.598415094e-02 -4.598415094e-02 4.92 -4.467559761e-02 -4.467559761e-02 4.94 -4.339338083e-02 -4.339338083e-02 4.96 -4.213736637e-02 -4.213736637e-02 4.98 -4.090749172e-02 -4.090749172e-02 5.00 -3.970375873e-02 -3.970375873e-02 5.02 -3.852622629e-02 -3.852622629e-02 5.04 -3.737500308e-02 -3.737500308e-02 5.06 -3.625024031e-02 -3.625024031e-02 5.08 -3.515212448e-02 -3.515212448e-02 5.10 -3.408087024e-02 -3.408087024e-02 5.12 -3.303671319e-02 -3.303671319e-02 5.14 -3.201990277e-02 -3.201990277e-02 5.16 -3.103066340e-02 -3.103066340e-02 5.18 -3.006850760e-02 -3.006850760e-02 5.20 -2.913230763e-02 -2.913230763e-02 5.22 -2.822101798e-02 -2.822101798e-02 5.24 -2.733369712e-02 -2.733369712e-02 5.26 -2.646949693e-02 -2.646949693e-02 5.28 -2.562765204e-02 -2.562765204e-02 5.30 -2.480746917e-02 -2.480746917e-02 5.32 -2.400831655e-02 -2.400831655e-02 5.34 -2.322961326e-02 -2.322961326e-02 5.36 -2.247081859e-02 -2.247081859e-02 5.38 -2.173142145e-02 -2.173142145e-02 5.40 -2.101092966e-02 -2.101092966e-02 5.42 -2.030885941e-02 -2.030885941e-02 5.44 -1.962472456e-02 -1.962472456e-02 5.46 -1.895802604e-02 -1.895802604e-02 5.48 -1.830824121e-02 -1.830824121e-02 5.50 -1.767481322e-02 -1.767481322e-02 5.52 -1.705714038e-02 -1.705714038e-02 5.54 -1.645456556e-02 -1.645456556e-02 5.56 -1.586636551e-02 -1.586636551e-02 5.58 -1.529174024e-02 -1.529174024e-02 5.60 -1.472980243e-02 -1.472980243e-02 5.62 -1.417956674e-02 -1.417956674e-02 5.64 -1.363993920e-02 -1.363993920e-02 5.66 -1.310970660e-02 -1.310970660e-02 5.68 -1.258752583e-02 -1.258752583e-02 5.70 -1.207191325e-02 -1.207191325e-02 5.72 -1.156123789e-02 -1.156123789e-02 5.74 -1.105442284e-02 -1.105442284e-02 5.76 -1.055185719e-02 -1.055185719e-02 5.78 -1.005415085e-02 -1.005415085e-02 5.80 -9.561937241e-03 -9.561937241e-03 5.82 -9.075869130e-03 -9.075869130e-03 5.84 -8.596614418e-03 -8.596614418e-03 5.86 -8.124851955e-03 -8.124851955e-03 5.88 -7.661267345e-03 -7.661267345e-03 5.90 -7.206548758e-03 -7.206548758e-03 5.92 -6.761382739e-03 -6.761382739e-03 5.94 -6.326450010e-03 -6.326450010e-03 5.96 -5.902421287e-03 -5.902421287e-03 5.98 -5.489953079e-03 -5.489953079e-03 6.00 -5.089683507e-03 -5.089683507e-03