# 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 = Cr2FeMn # 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 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 3.294407919e+04 3.294407919e+04 1.12 2.649616919e+04 2.649616919e+04 1.14 2.138875001e+04 2.138875001e+04 1.16 1.732692412e+04 1.732692412e+04 1.18 1.408416355e+04 1.408416355e+04 1.20 1.148566960e+04 1.148566960e+04 1.22 9.395970322e+03 9.395970322e+03 1.24 7.709628021e+03 7.709628021e+03 1.26 6.344245613e+03 6.344245613e+03 1.28 5.235176906e+03 5.235176906e+03 1.30 4.331507170e+03 4.331507170e+03 1.32 3.592988997e+03 3.592988997e+03 1.34 2.987693587e+03 2.987693587e+03 1.36 2.490202530e+03 2.490202530e+03 1.38 2.080212724e+03 2.080212724e+03 1.40 1.741454497e+03 1.741454497e+03 1.42 1.460848546e+03 1.460848546e+03 1.44 1.227847893e+03 1.227847893e+03 1.46 1.033922914e+03 1.033922914e+03 1.48 8.721557796e+02 8.721557796e+02 1.50 7.369205127e+02 7.369205127e+02 1.52 6.236288491e+02 6.236288491e+02 1.54 5.285289843e+02 5.285289843e+02 1.56 4.485451209e+02 4.485451209e+02 1.58 3.811492705e+02 3.811492705e+02 1.60 3.242590410e+02 3.242590410e+02 1.62 2.761548214e+02 2.761548214e+02 1.64 2.354127950e+02 2.354127950e+02 1.66 2.008517364e+02 2.008517364e+02 1.68 1.714896554e+02 1.714896554e+02 1.70 1.465085029e+02 1.465085029e+02 1.72 1.252255235e+02 1.252255235e+02 1.74 1.070698498e+02 1.070698498e+02 1.76 9.156312629e+01 9.156312629e+01 1.78 7.830356232e+01 7.830356232e+01 1.80 6.695319662e+01 6.695319662e+01 1.82 5.722735882e+01 5.722735882e+01 1.84 4.888574894e+01 4.888574894e+01 1.86 4.172524871e+01 4.172524871e+01 1.88 3.557397829e+01 3.557397829e+01 1.90 3.028630943e+01 3.028630943e+01 1.92 2.573871430e+01 2.573871430e+01 1.94 2.182611259e+01 2.182611259e+01 1.96 1.845882389e+01 1.845882389e+01 1.98 1.556011393e+01 1.556011393e+01 2.00 1.306441227e+01 1.306441227e+01 2.02 1.091566483e+01 1.091566483e+01 2.04 9.065907684e+00 9.065907684e+00 2.06 7.473953975e+00 7.473953975e+00 2.08 6.104458669e+00 6.104458669e+00 2.10 4.927062466e+00 4.927062466e+00 2.12 3.915645196e+00 3.915645196e+00 2.14 3.047719418e+00 3.047719418e+00 2.16 2.303917657e+00 2.303917657e+00 2.18 1.667558114e+00 1.667558114e+00 2.20 1.124276522e+00 1.124276522e+00 2.22 6.616721834e-01 6.616721834e-01 2.24 2.689000095e-01 2.689000095e-01 2.26 -6.345695402e-02 -6.345695402e-02 2.28 -3.435472831e-01 -3.435472831e-01 2.30 -5.784250583e-01 -5.784250583e-01 2.32 -7.741921058e-01 -7.741921058e-01 2.34 -9.361199442e-01 -9.361199442e-01 2.36 -1.068810665e+00 -1.068810665e+00 2.38 -1.176335158e+00 -1.176335158e+00 2.40 -1.262240827e+00 -1.262240827e+00 2.42 -1.329610727e+00 -1.329610727e+00 2.44 -1.381120465e+00 -1.381120465e+00 2.46 -1.419086946e+00 -1.419086946e+00 2.48 -1.445510108e+00 -1.445510108e+00 2.50 -1.462108643e+00 -1.462108643e+00 2.52 -1.470350533e+00 -1.470350533e+00 2.54 -1.471479116e+00 -1.471479116e+00 2.56 -1.466535443e+00 -1.466535443e+00 2.58 -1.456410242e+00 -1.456410242e+00 2.60 -1.441908544e+00 -1.441908544e+00 2.62 -1.423707738e+00 -1.423707738e+00 2.64 -1.402380555e+00 -1.402380555e+00 2.66 -1.378471440e+00 -1.378471440e+00 2.68 -1.352473484e+00 -1.352473484e+00 2.70 -1.324813192e+00 -1.324813192e+00 2.72 -1.295843581e+00 -1.295843581e+00 2.74 -1.265855473e+00 -1.265855473e+00 2.76 -1.235099517e+00 -1.235099517e+00 2.78 -1.203791752e+00 -1.203791752e+00 2.80 -1.172117832e+00 -1.172117832e+00 2.82 -1.140236649e+00 -1.140236649e+00 2.84 -1.108283415e+00 -1.108283415e+00 2.86 -1.076372284e+00 -1.076372284e+00 2.88 -1.044603312e+00 -1.044603312e+00 2.90 -1.013074836e+00 -1.013074836e+00 2.92 -9.818756987e-01 -9.818756987e-01 2.94 -9.510844102e-01 -9.510844102e-01 2.96 -9.207703848e-01 -9.207703848e-01 2.98 -8.909949713e-01 -8.909949713e-01 3.00 -8.618122971e-01 -8.618122971e-01 3.02 -8.332699512e-01 -8.332699512e-01 3.04 -8.054095245e-01 -8.054095245e-01 3.06 -7.782670250e-01 -7.782670250e-01 3.08 -7.518731840e-01 -7.518731840e-01 3.10 -7.262536656e-01 -7.262536656e-01 3.12 -7.014291905e-01 -7.014291905e-01 3.14 -6.774155873e-01 -6.774155873e-01 3.16 -6.542237216e-01 -6.542237216e-01 3.18 -6.318558811e-01 -6.318558811e-01 3.20 -6.103041070e-01 -6.103041070e-01 3.22 -5.895560038e-01 -5.895560038e-01 3.24 -5.695950464e-01 -5.695950464e-01 3.26 -5.504002705e-01 -5.504002705e-01 3.28 -5.319459311e-01 -5.319459311e-01 3.30 -5.142011341e-01 -5.142011341e-01 3.32 -4.971324768e-01 -4.971324768e-01 3.34 -4.807136169e-01 -4.807136169e-01 3.36 -4.649173506e-01 -4.649173506e-01 3.38 -4.497124842e-01 -4.497124842e-01 3.40 -4.350635118e-01 -4.350635118e-01 3.42 -4.209302798e-01 -4.209302798e-01 3.44 -4.072676396e-01 -4.072676396e-01 3.46 -3.940273894e-01 -3.940273894e-01 3.48 -3.811839376e-01 -3.811839376e-01 3.50 -3.687286812e-01 -3.687286812e-01 3.52 -3.566538710e-01 -3.566538710e-01 3.54 -3.449522762e-01 -3.449522762e-01 3.56 -3.336171327e-01 -3.336171327e-01 3.58 -3.226420886e-01 -3.226420886e-01 3.60 -3.120211446e-01 -3.120211446e-01 3.62 -3.017485917e-01 -3.017485917e-01 3.64 -2.918189453e-01 -2.918189453e-01 3.66 -2.822268767e-01 -2.822268767e-01 3.68 -2.729671431e-01 -2.729671431e-01 3.70 -2.640345145e-01 -2.640345145e-01 3.72 -2.554236996e-01 -2.554236996e-01 3.74 -2.471292701e-01 -2.471292701e-01 3.76 -2.391455837e-01 -2.391455837e-01 3.78 -2.314667061e-01 -2.314667061e-01 3.80 -2.240863317e-01 -2.240863317e-01 3.82 -2.169977040e-01 -2.169977040e-01 3.84 -2.101935354e-01 -2.101935354e-01 3.86 -2.036659258e-01 -2.036659258e-01 3.88 -1.974062818e-01 -1.974062818e-01 3.90 -1.914052342e-01 -1.914052342e-01 3.92 -1.856525567e-01 -1.856525567e-01 3.94 -1.801370831e-01 -1.801370831e-01 3.96 -1.748466253e-01 -1.748466253e-01 3.98 -1.697678905e-01 -1.697678905e-01 4.00 -1.648863987e-01 -1.648863987e-01 4.02 -1.601863999e-01 -1.601863999e-01 4.04 -1.556507918e-01 -1.556507918e-01 4.06 -1.512629273e-01 -1.512629273e-01 4.08 -1.470148614e-01 -1.470148614e-01 4.10 -1.429017535e-01 -1.429017535e-01 4.12 -1.389189371e-01 -1.389189371e-01 4.14 -1.350619122e-01 -1.350619122e-01 4.16 -1.313263406e-01 -1.313263406e-01 4.18 -1.277080395e-01 -1.277080395e-01 4.20 -1.242029769e-01 -1.242029769e-01 4.22 -1.208072659e-01 -1.208072659e-01 4.24 -1.175171599e-01 -1.175171599e-01 4.26 -1.143290476e-01 -1.143290476e-01 4.28 -1.112394482e-01 -1.112394482e-01 4.30 -1.082450065e-01 -1.082450065e-01 4.32 -1.053424889e-01 -1.053424889e-01 4.34 -1.025287784e-01 -1.025287784e-01 4.36 -9.980087083e-02 -9.980087083e-02 4.38 -9.715587043e-02 -9.715587043e-02 4.40 -9.459098606e-02 -9.459098606e-02 4.42 -9.210352725e-02 -9.210352725e-02 4.44 -8.969090053e-02 -8.969090053e-02 4.46 -8.735060581e-02 -8.735060581e-02 4.48 -8.507993024e-02 -8.507993024e-02 4.50 -8.287509281e-02 -8.287509281e-02 4.52 -8.073225736e-02 -8.073225736e-02 4.54 -7.864784494e-02 -7.864784494e-02 4.56 -7.661852491e-02 -7.661852491e-02 4.58 -7.464120608e-02 -7.464120608e-02 4.60 -7.271302803e-02 -7.271302803e-02 4.62 -7.083135231e-02 -7.083135231e-02 4.64 -6.899375393e-02 -6.899375393e-02 4.66 -6.719801273e-02 -6.719801273e-02 4.68 -6.544210488e-02 -6.544210488e-02 4.70 -6.372419451e-02 -6.372419451e-02 4.72 -6.204262528e-02 -6.204262528e-02 4.74 -6.039591205e-02 -6.039591205e-02 4.76 -5.878273269e-02 -5.878273269e-02 4.78 -5.720191980e-02 -5.720191980e-02 4.80 -5.565245257e-02 -5.565245257e-02 4.82 -5.413344871e-02 -5.413344871e-02 4.84 -5.264415635e-02 -5.264415635e-02 4.86 -5.118394606e-02 -5.118394606e-02 4.88 -4.975230285e-02 -4.975230285e-02 4.90 -4.834881830e-02 -4.834881830e-02 4.92 -4.697318263e-02 -4.697318263e-02 4.94 -4.562517689e-02 -4.562517689e-02 4.96 -4.430466518e-02 -4.430466518e-02 4.98 -4.301158685e-02 -4.301158685e-02 5.00 -4.174594879e-02 -4.174594879e-02 5.02 -4.050781775e-02 -4.050781775e-02 5.04 -3.929731269e-02 -3.929731269e-02 5.06 -3.811459714e-02 -3.811459714e-02 5.08 -3.695987162e-02 -3.695987162e-02 5.10 -3.583336609e-02 -3.583336609e-02 5.12 -3.473533240e-02 -3.473533240e-02 5.14 -3.366603679e-02 -3.366603679e-02 5.16 -3.262571904e-02 -3.262571904e-02 5.18 -3.161387016e-02 -3.161387016e-02 5.20 -3.062930776e-02 -3.062930776e-02 5.22 -2.967093575e-02 -2.967093575e-02 5.24 -2.873776725e-02 -2.873776725e-02 5.26 -2.782891337e-02 -2.782891337e-02 5.28 -2.694357209e-02 -2.694357209e-02 5.30 -2.608101700e-02 -2.608101700e-02 5.32 -2.524058614e-02 -2.524058614e-02 5.34 -2.442167081e-02 -2.442167081e-02 5.36 -2.362370438e-02 -2.362370438e-02 5.38 -2.284615106e-02 -2.284615106e-02 5.40 -2.208849480e-02 -2.208849480e-02 5.42 -2.135022797e-02 -2.135022797e-02 5.44 -2.063084030e-02 -2.063084030e-02 5.46 -1.992980760e-02 -1.992980760e-02 5.48 -1.924658060e-02 -1.924658060e-02 5.50 -1.858057375e-02 -1.858057375e-02 5.52 -1.793115404e-02 -1.793115404e-02 5.54 -1.729762982e-02 -1.729762982e-02 5.56 -1.667923956e-02 -1.667923956e-02 5.58 -1.607514072e-02 -1.607514072e-02 5.60 -1.548439852e-02 -1.548439852e-02 5.62 -1.490597475e-02 -1.490597475e-02 5.64 -1.433871661e-02 -1.433871661e-02 5.66 -1.378134547e-02 -1.378134547e-02 5.68 -1.323244573e-02 -1.323244573e-02 5.70 -1.269045359e-02 -1.269045359e-02 5.72 -1.215364990e-02 -1.215364990e-02 5.74 -1.162089917e-02 -1.162089917e-02 5.76 -1.109261042e-02 -1.109261042e-02 5.78 -1.056942525e-02 -1.056942525e-02 5.80 -1.005200994e-02 -1.005200994e-02 5.82 -9.541051104e-03 -9.541051104e-03 5.84 -9.037251234e-03 -9.037251234e-03 5.86 -8.541324317e-03 -8.541324317e-03 5.88 -8.053991421e-03 -8.053991421e-03 5.90 -7.575976295e-03 -7.575976295e-03 5.92 -7.108000958e-03 -7.108000958e-03 5.94 -6.650781292e-03 -6.650781292e-03 5.96 -6.205022644e-03 -6.205022644e-03 5.98 -5.771415409e-03 -5.771415409e-03 6.00 -5.350630633e-03 -5.350630633e-03