# 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 = CoFeMn2 # 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 3.432292347e+04 3.432292347e+04 1.12 2.760909436e+04 2.760909436e+04 1.14 2.229064598e+04 2.229064598e+04 1.16 1.806065046e+04 1.806065046e+04 1.18 1.468333289e+04 1.468333289e+04 1.20 1.197675445e+04 1.197675445e+04 1.22 9.799905232e+03 9.799905232e+03 1.24 8.043033851e+03 8.043033851e+03 1.26 6.620369106e+03 6.620369106e+03 1.28 5.464615014e+03 5.464615014e+03 1.30 4.522767831e+03 4.522767831e+03 1.32 3.752926946e+03 3.752926946e+03 1.34 3.121850432e+03 3.121850432e+03 1.36 2.603073205e+03 2.603073205e+03 1.38 2.175454961e+03 2.175454961e+03 1.40 1.822054098e+03 1.822054098e+03 1.42 1.529250306e+03 1.529250306e+03 1.44 1.286059627e+03 1.286059627e+03 1.46 1.083598358e+03 1.083598358e+03 1.48 9.146608926e+02 9.146608926e+02 1.50 7.733866480e+02 7.733866480e+02 1.52 6.549955830e+02 6.549955830e+02 1.54 5.555786812e+02 5.555786812e+02 1.56 4.719309250e+02 4.719309250e+02 1.58 4.014178352e+02 4.014178352e+02 1.60 3.418690117e+02 3.418690117e+02 1.62 2.914919376e+02 2.914919376e+02 1.64 2.488022787e+02 2.488022787e+02 1.66 2.125684366e+02 2.125684366e+02 1.68 1.817663876e+02 1.817663876e+02 1.70 1.555429246e+02 1.555429246e+02 1.72 1.331858114e+02 1.331858114e+02 1.74 1.140993998e+02 1.140993998e+02 1.76 9.778446609e+01 9.778446609e+01 1.78 8.382161748e+01 8.382161748e+01 1.80 7.185800720e+01 7.185800720e+01 1.82 6.159634487e+01 6.159634487e+01 1.84 5.278561521e+01 5.278561521e+01 1.86 4.521358001e+01 4.521358001e+01 1.88 3.870057729e+01 3.870057729e+01 1.90 3.309432289e+01 3.309432289e+01 1.92 2.826558318e+01 2.826558318e+01 1.94 2.410438580e+01 2.410438580e+01 1.96 2.051685650e+01 2.051685650e+01 1.98 1.742266331e+01 1.742266331e+01 2.00 1.475313483e+01 1.475313483e+01 2.02 1.244953676e+01 1.244953676e+01 2.04 1.046158375e+01 1.046158375e+01 2.06 8.746080168e+00 8.746080168e+00 2.08 7.265936419e+00 7.265936419e+00 2.10 5.989275203e+00 5.989275203e+00 2.12 4.888654068e+00 4.888654068e+00 2.14 3.940431440e+00 3.940431440e+00 2.16 3.124230257e+00 3.124230257e+00 2.18 2.422483450e+00 2.422483450e+00 2.20 1.820048424e+00 1.820048424e+00 2.22 1.303840250e+00 1.303840250e+00 2.24 8.624180778e-01 8.624180778e-01 2.26 4.858415042e-01 4.858415042e-01 2.28 1.654995410e-01 1.654995410e-01 2.30 -1.060710713e-01 -1.060710713e-01 2.32 -3.353352149e-01 -3.353352149e-01 2.34 -5.278874963e-01 -5.278874963e-01 2.36 -6.886153970e-01 -6.886153970e-01 2.38 -8.218394940e-01 -8.218394940e-01 2.40 -9.313290036e-01 -9.313290036e-01 2.42 -1.020364825e+00 -1.020364825e+00 2.44 -1.091799527e+00 -1.091799527e+00 2.46 -1.148108797e+00 -1.148108797e+00 2.48 -1.191435571e+00 -1.191435571e+00 2.50 -1.223627857e+00 -1.223627857e+00 2.52 -1.246271133e+00 -1.246271133e+00 2.54 -1.260716076e+00 -1.260716076e+00 2.56 -1.268102383e+00 -1.268102383e+00 2.58 -1.269410181e+00 -1.269410181e+00 2.60 -1.265523086e+00 -1.265523086e+00 2.62 -1.257190446e+00 -1.257190446e+00 2.64 -1.245050694e+00 -1.245050694e+00 2.66 -1.229705161e+00 -1.229705161e+00 2.68 -1.211697361e+00 -1.211697361e+00 2.70 -1.191499563e+00 -1.191499563e+00 2.72 -1.169507151e+00 -1.169507151e+00 2.74 -1.146050133e+00 -1.146050133e+00 2.76 -1.121414770e+00 -1.121414770e+00 2.78 -1.095849463e+00 -1.095849463e+00 2.80 -1.069569329e+00 -1.069569329e+00 2.82 -1.042760116e+00 -1.042760116e+00 2.84 -1.015581564e+00 -1.015581564e+00 2.86 -9.881702706e-01 -9.881702706e-01 2.88 -9.606466254e-01 -9.606466254e-01 2.90 -9.331268159e-01 -9.331268159e-01 2.92 -9.057157523e-01 -9.057157523e-01 2.94 -8.785065144e-01 -8.785065144e-01 2.96 -8.515817384e-01 -8.515817384e-01 2.98 -8.250147814e-01 -8.250147814e-01 3.00 -7.988706907e-01 -7.988706907e-01 3.02 -7.732070007e-01 -7.732070007e-01 3.04 -7.480743791e-01 -7.480743791e-01 3.06 -7.235171405e-01 -7.235171405e-01 3.08 -6.995736434e-01 -6.995736434e-01 3.10 -6.762765840e-01 -6.762765840e-01 3.12 -6.536532001e-01 -6.536532001e-01 3.14 -6.317253951e-01 -6.317253951e-01 3.16 -6.105097413e-01 -6.105097413e-01 3.18 -5.900141203e-01 -5.900141203e-01 3.20 -5.702362011e-01 -5.702362011e-01 3.22 -5.511689852e-01 -5.511689852e-01 3.24 -5.328011410e-01 -5.328011410e-01 3.26 -5.151167510e-01 -5.151167510e-01 3.28 -4.980950242e-01 -4.980950242e-01 3.30 -4.817099797e-01 -4.817099797e-01 3.32 -4.659329658e-01 -4.659329658e-01 3.34 -4.507417138e-01 -4.507417138e-01 3.36 -4.361128850e-01 -4.361128850e-01 3.38 -4.220191395e-01 -4.220191395e-01 3.40 -4.084288494e-01 -4.084288494e-01 3.42 -3.953057978e-01 -3.953057978e-01 3.44 -3.826088660e-01 -3.826088660e-01 3.46 -3.702938899e-01 -3.702938899e-01 3.48 -3.583380306e-01 -3.583380306e-01 3.50 -3.467344498e-01 -3.467344498e-01 3.52 -3.354770088e-01 -3.354770088e-01 3.54 -3.245599588e-01 -3.245599588e-01 3.56 -3.139779017e-01 -3.139779017e-01 3.58 -3.037257459e-01 -3.037257459e-01 3.60 -2.937986576e-01 -2.937986576e-01 3.62 -2.841920081e-01 -2.841920081e-01 3.64 -2.749013178e-01 -2.749013178e-01 3.66 -2.659221969e-01 -2.659221969e-01 3.68 -2.572502836e-01 -2.572502836e-01 3.70 -2.488811801e-01 -2.488811801e-01 3.72 -2.408103865e-01 -2.408103865e-01 3.74 -2.330332327e-01 -2.330332327e-01 3.76 -2.255448091e-01 -2.255448091e-01 3.78 -2.183398960e-01 -2.183398960e-01 3.80 -2.114128918e-01 -2.114128918e-01 3.82 -2.047577397e-01 -2.047577397e-01 3.84 -1.983678546e-01 -1.983678546e-01 3.86 -1.922360485e-01 -1.922360485e-01 3.88 -1.863544552e-01 -1.863544552e-01 3.90 -1.807144554e-01 -1.807144554e-01 3.92 -1.753066003e-01 -1.753066003e-01 3.94 -1.701205359e-01 -1.701205359e-01 3.96 -1.651449257e-01 -1.651449257e-01 3.98 -1.603673746e-01 -1.603673746e-01 4.00 -1.557743517e-01 -1.557743517e-01 4.02 -1.513511133e-01 -1.513511133e-01 4.04 -1.470816258e-01 -1.470816258e-01 4.06 -1.429502755e-01 -1.429502755e-01 4.08 -1.389496670e-01 -1.389496670e-01 4.10 -1.350753313e-01 -1.350753313e-01 4.12 -1.313229557e-01 -1.313229557e-01 4.14 -1.276883777e-01 -1.276883777e-01 4.16 -1.241675807e-01 -1.241675807e-01 4.18 -1.207566889e-01 -1.207566889e-01 4.20 -1.174519628e-01 -1.174519628e-01 4.22 -1.142497951e-01 -1.142497951e-01 4.24 -1.111467059e-01 -1.111467059e-01 4.26 -1.081393388e-01 -1.081393388e-01 4.28 -1.052244561e-01 -1.052244561e-01 4.30 -1.023989356e-01 -1.023989356e-01 4.32 -9.965976559e-02 -9.965976559e-02 4.34 -9.700404190e-02 -9.700404190e-02 4.36 -9.442896355e-02 -9.442896355e-02 4.38 -9.193182933e-02 -9.193182933e-02 4.40 -8.951003419e-02 -8.951003419e-02 4.42 -8.716106580e-02 -8.716106580e-02 4.44 -8.488250126e-02 -8.488250126e-02 4.46 -8.267200384e-02 -8.267200384e-02 4.48 -8.052703411e-02 -8.052703411e-02 4.50 -7.844404257e-02 -7.844404257e-02 4.52 -7.641942619e-02 -7.641942619e-02 4.54 -7.444982333e-02 -7.444982333e-02 4.56 -7.253210546e-02 -7.253210546e-02 4.58 -7.066336891e-02 -7.066336891e-02 4.60 -6.884092668e-02 -6.884092668e-02 4.62 -6.706230034e-02 -6.706230034e-02 4.64 -6.532521194e-02 -6.532521194e-02 4.66 -6.362757601e-02 -6.362757601e-02 4.68 -6.196749160e-02 -6.196749160e-02 4.70 -6.034323435e-02 -6.034323435e-02 4.72 -5.875324869e-02 -5.875324869e-02 4.74 -5.719614000e-02 -5.719614000e-02 4.76 -5.567066687e-02 -5.567066687e-02 4.78 -5.417573338e-02 -5.417573338e-02 4.80 -5.271038145e-02 -5.271038145e-02 4.82 -5.127378326e-02 -5.127378326e-02 4.84 -4.986523361e-02 -4.986523361e-02 4.86 -4.848414245e-02 -4.848414245e-02 4.88 -4.713002737e-02 -4.713002737e-02 4.90 -4.580250615e-02 -4.580250615e-02 4.92 -4.450128935e-02 -4.450128935e-02 4.94 -4.322617297e-02 -4.322617297e-02 4.96 -4.197703104e-02 -4.197703104e-02 4.98 -4.075380839e-02 -4.075380839e-02 5.00 -3.955651333e-02 -3.955651333e-02 5.02 -3.838521047e-02 -3.838521047e-02 5.04 -3.724001342e-02 -3.724001342e-02 5.06 -3.612107773e-02 -3.612107773e-02 5.08 -3.502859362e-02 -3.502859362e-02 5.10 -3.396277897e-02 -3.396277897e-02 5.12 -3.292387215e-02 -3.292387215e-02 5.14 -3.191212497e-02 -3.191212497e-02 5.16 -3.092776396e-02 -3.092776396e-02 5.18 -2.997030458e-02 -2.997030458e-02 5.20 -2.903862290e-02 -2.903862290e-02 5.22 -2.813167692e-02 -2.813167692e-02 5.24 -2.724852842e-02 -2.724852842e-02 5.26 -2.638833239e-02 -2.638833239e-02 5.28 -2.555032638e-02 -2.555032638e-02 5.30 -2.473381999e-02 -2.473381999e-02 5.32 -2.393818427e-02 -2.393818427e-02 5.34 -2.316284111e-02 -2.316284111e-02 5.36 -2.240725270e-02 -2.240725270e-02 5.38 -2.167091093e-02 -2.167091093e-02 5.40 -2.095332679e-02 -2.095332679e-02 5.42 -2.025401982e-02 -2.025401982e-02 5.44 -1.957250753e-02 -1.957250753e-02 5.46 -1.890829479e-02 -1.890829479e-02 5.48 -1.826086327e-02 -1.826086327e-02 5.50 -1.762966086e-02 -1.762966086e-02 5.52 -1.701409106e-02 -1.701409106e-02 5.54 -1.641350246e-02 -1.641350246e-02 5.56 -1.582717809e-02 -1.582717809e-02 5.58 -1.525432489e-02 -1.525432489e-02 5.60 -1.469406310e-02 -1.469406310e-02 5.62 -1.414541568e-02 -1.414541568e-02 5.64 -1.360729775e-02 -1.360729775e-02 5.66 -1.307850600e-02 -1.307850600e-02 5.68 -1.255770809e-02 -1.255770809e-02 5.70 -1.204343211e-02 -1.204343211e-02 5.72 -1.153405972e-02 -1.153405972e-02 5.74 -1.102852353e-02 -1.102852353e-02 5.76 -1.052721352e-02 -1.052721352e-02 5.78 -1.003073928e-02 -1.003073928e-02 5.80 -9.539733800e-03 -9.539733800e-03 5.82 -9.054849309e-03 -9.054849309e-03 5.84 -8.576753085e-03 -8.576753085e-03 5.86 -8.106123283e-03 -8.106123283e-03 5.88 -7.643644749e-03 -7.643644749e-03 5.90 -7.190004841e-03 -7.190004841e-03 5.92 -6.745889247e-03 -6.745889247e-03 5.94 -6.311977805e-03 -6.311977805e-03 5.96 -5.888940324e-03 -5.888940324e-03 5.98 -5.477432399e-03 -5.477432399e-03 6.00 -5.078091234e-03 -5.078091234e-03