# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--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 2025-07-01 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 2.139382585e+02 2.139382585e+02 1.10 1.970485010e+02 1.970485010e+02 1.12 1.812922155e+02 1.812922155e+02 1.14 1.667501634e+02 1.667501634e+02 1.16 1.535288794e+02 1.535288794e+02 1.18 1.412959796e+02 1.412959796e+02 1.20 1.303444308e+02 1.303444308e+02 1.22 1.199432421e+02 1.199432421e+02 1.24 1.102812672e+02 1.102812672e+02 1.26 1.015169851e+02 1.015169764e+02 1.28 9.339148417e+01 9.339148417e+01 1.30 8.589683026e+01 8.589683026e+01 1.32 7.886865964e+01 7.886865964e+01 1.34 7.259621725e+01 7.259621725e+01 1.36 6.657906631e+01 6.657906631e+01 1.38 6.103949462e+01 6.103949462e+01 1.40 5.590313098e+01 5.590313098e+01 1.42 5.115654317e+01 5.115654317e+01 1.44 4.697692846e+01 4.697692846e+01 1.46 4.305220375e+01 4.305220375e+01 1.48 3.926315525e+01 3.926315525e+01 1.50 3.576062955e+01 3.576062955e+01 1.52 3.259808746e+01 3.259808746e+01 1.54 2.974208741e+01 2.974208741e+01 1.56 2.695173654e+01 2.695173654e+01 1.58 2.439829270e+01 2.439829270e+01 1.60 2.201233292e+01 2.201233292e+01 1.62 1.980764722e+01 1.980764722e+01 1.64 1.777077975e+01 1.777077975e+01 1.66 1.596180774e+01 1.596180774e+01 1.68 1.428888929e+01 1.428888929e+01 1.70 1.267131598e+01 1.267131598e+01 1.72 1.117879809e+01 1.117879809e+01 1.74 9.875161996e+00 9.875161996e+00 1.76 8.599128117e+00 8.599128117e+00 1.78 7.423452337e+00 7.423452337e+00 1.80 6.340857634e+00 6.340857634e+00 1.82 5.441967840e+00 5.441967840e+00 1.84 4.517020850e+00 4.517020850e+00 1.86 3.812127142e+00 3.812127142e+00 1.88 3.019043822e+00 3.019043822e+00 1.90 2.291778090e+00 2.291778090e+00 1.92 1.625560175e+00 1.625560175e+00 1.94 1.053329716e+00 1.053329716e+00 1.96 4.930567860e-01 4.930567860e-01 1.98 -1.823547991e-02 -1.823547991e-02 2.00 -4.841081694e-01 -4.841081694e-01 2.02 -9.078684324e-01 -9.078684324e-01 2.04 -1.292588430e+00 -1.292588430e+00 2.06 -1.641122756e+00 -1.641122756e+00 2.08 -1.956124463e+00 -1.956124463e+00 2.10 -2.174764708e+00 -2.174764497e+00 2.12 -2.399510065e+00 -2.399510065e+00 2.14 -2.635588167e+00 -2.635588167e+00 2.16 -2.846414016e+00 -2.846414016e+00 2.18 -3.033879002e+00 -3.033879002e+00 2.20 -3.199742351e+00 -3.199742351e+00 2.22 -3.345640506e+00 -3.345640506e+00 2.24 -3.398333624e+00 -3.398333624e+00 2.26 -3.514334984e+00 -3.514334984e+00 2.28 -3.614213310e+00 -3.614213310e+00 2.30 -3.699224995e+00 -3.699224995e+00 2.32 -3.770538822e+00 -3.770538822e+00 2.34 -3.829242031e+00 -3.829242031e+00 2.36 -3.876345961e+00 -3.876345961e+00 2.38 -3.912791269e+00 -3.912791269e+00 2.40 -3.939452798e+00 -3.939452798e+00 2.42 -3.957144077e+00 -3.957144077e+00 2.44 -3.888241109e+00 -3.888241109e+00 2.46 -3.895555125e+00 -3.895555125e+00 2.48 -3.895648595e+00 -3.895648595e+00 2.50 -3.889153410e+00 -3.889153410e+00 2.52 -3.803065996e+00 -3.803065996e+00 2.54 -3.790018850e+00 -3.790018850e+00 2.56 -3.771696384e+00 -3.771696384e+00 2.58 -3.748590422e+00 -3.748590422e+00 2.60 -3.721157575e+00 -3.721157575e+00 2.62 -3.689821606e+00 -3.689821606e+00 2.64 -3.654975642e+00 -3.654975642e+00 2.66 -3.616984229e+00 -3.616984229e+00 2.68 -3.576185260e+00 -3.576185260e+00 2.70 -3.532891765e+00 -3.532891765e+00 2.72 -3.487393581e+00 -3.487393581e+00 2.74 -3.421064658e+00 -3.421064658e+00 2.76 -3.373099511e+00 -3.373099511e+00 2.78 -3.323604437e+00 -3.323604437e+00 2.80 -3.272795423e+00 -3.272795423e+00 2.82 -3.220871848e+00 -3.220871848e+00 2.84 -3.168017609e+00 -3.168017609e+00 2.86 -3.114402166e+00 -3.114402166e+00 2.88 -3.060181528e+00 -3.060181528e+00 2.90 -3.005499166e+00 -3.005499166e+00 2.92 -2.950486870e+00 -2.950486870e+00 2.94 -2.895265547e+00 -2.895265547e+00 2.96 -2.839945973e+00 -2.839945973e+00 2.98 -2.784629486e+00 -2.784629486e+00 3.00 -2.729408642e+00 -2.729408642e+00 3.02 -2.674367822e+00 -2.674367822e+00 3.04 -2.619583808e+00 -2.619583808e+00 3.06 -2.565126308e+00 -2.565126308e+00 3.08 -2.511058459e+00 -2.511058459e+00 3.10 -2.457437290e+00 -2.457437290e+00 3.12 -2.404314158e+00 -2.404314158e+00 3.14 -2.351735152e+00 -2.351735152e+00 3.16 -2.274318075e+00 -2.274318075e+00 3.18 -2.224300600e+00 -2.224300600e+00 3.20 -2.174865716e+00 -2.174865716e+00 3.22 -2.126045784e+00 -2.126045784e+00 3.24 -2.077869364e+00 -2.077869364e+00 3.26 -2.030361497e+00 -2.030361497e+00 3.28 -1.983543964e+00 -1.983543964e+00 3.30 -1.861504876e+00 -1.861504876e+00 3.32 -1.820003750e+00 -1.820003750e+00 3.34 -1.779043337e+00 -1.779043337e+00 3.36 -1.738644666e+00 -1.738644666e+00 3.38 -1.698826075e+00 -1.698826075e+00 3.40 -1.659603415e+00 -1.659603415e+00 3.42 -1.620990227e+00 -1.620990227e+00 3.44 -1.582997920e+00 -1.582997920e+00 3.46 -1.545635929e+00 -1.545635929e+00 3.48 -1.508911872e+00 -1.508911872e+00 3.50 -1.472831684e+00 -1.472831684e+00 3.52 -1.437399754e+00 -1.437399754e+00 3.54 -1.402619047e+00 -1.402619047e+00 3.56 -1.368491218e+00 -1.368491218e+00 3.58 -1.335016724e+00 -1.335016724e+00 3.60 -1.302194918e+00 -1.302194918e+00 3.62 -1.270024148e+00 -1.270024148e+00 3.64 -1.238501845e+00 -1.238501845e+00 3.66 -1.207624598e+00 -1.207624598e+00 3.68 -1.177388240e+00 -1.177388240e+00 3.70 -1.147787909e+00 -1.147787909e+00 3.72 -1.118818122e+00 -1.118818122e+00 3.74 -1.090472831e+00 -1.090472831e+00 3.76 -1.062745485e+00 -1.062745485e+00 3.78 -1.035629079e+00 -1.035629079e+00 3.80 -1.009116204e+00 -1.009116204e+00 3.82 -9.831990974e-01 -9.831990974e-01 3.84 -9.578696798e-01 -9.578696798e-01 3.86 -8.940471759e-01 -8.940471759e-01 3.88 -8.715764022e-01 -8.715764022e-01 3.90 -8.495931392e-01 -8.495931392e-01 3.92 -8.280916383e-01 -8.280916383e-01 3.94 -8.070658706e-01 -8.070658706e-01 3.96 -7.865095592e-01 -7.865095592e-01 3.98 -7.664162095e-01 -7.664162095e-01 4.00 -7.467791372e-01 -7.467791372e-01 4.02 -7.275914943e-01 -7.275914943e-01 4.04 -7.088462936e-01 -7.088462936e-01 4.06 -6.905364307e-01 -6.905364307e-01 4.08 -6.726547051e-01 -6.726547051e-01 4.10 -6.551938391e-01 -6.551938391e-01 4.12 -6.381464957e-01 -6.381464957e-01 4.14 -6.215052948e-01 -6.215052948e-01 4.16 -6.052628286e-01 -6.052628286e-01 4.18 -5.894116751e-01 -5.894116751e-01 4.20 -5.739444111e-01 -5.739444111e-01 4.22 -5.588536238e-01 -5.588536238e-01 4.24 -5.441319216e-01 -5.441319216e-01 4.26 -5.297719439e-01 -5.297719439e-01 4.28 -5.157663701e-01 -5.157663701e-01 4.30 -5.021079278e-01 -5.021079278e-01 4.32 -4.887893999e-01 -4.887893999e-01 4.34 -4.758036317e-01 -4.758036317e-01 4.36 -4.631435369e-01 -4.631435369e-01 4.38 -4.508021029e-01 -4.508021029e-01 4.40 -4.387723958e-01 -4.387723958e-01 4.42 -4.270475648e-01 -4.270475648e-01 4.44 -4.156208458e-01 -4.156208458e-01 4.46 -4.044855654e-01 -4.044855654e-01 4.48 -3.936351434e-01 -3.936351434e-01 4.50 -3.830630957e-01 -3.830630957e-01 4.52 -3.727630361e-01 -3.727630361e-01 4.54 -3.627286788e-01 -3.627286788e-01 4.56 -3.529538398e-01 -3.529538398e-01 4.58 -3.434324379e-01 -3.434324379e-01 4.60 -3.341584961e-01 -3.341584961e-01 4.62 -3.251261422e-01 -3.251261422e-01 4.64 -3.163296094e-01 -3.163296094e-01 4.66 -3.077632367e-01 -3.077632367e-01 4.68 -2.994214690e-01 -2.994214690e-01 4.70 -2.912988570e-01 -2.912988570e-01 4.72 -2.833900571e-01 -2.833900571e-01 4.74 -2.756898313e-01 -2.756898313e-01 4.76 -2.681930463e-01 -2.681930463e-01 4.78 -2.608946729e-01 -2.608946729e-01 4.80 -2.537897858e-01 -2.537897858e-01 4.82 -2.468735624e-01 -2.468735624e-01 4.84 -2.401412817e-01 -2.401412817e-01 4.86 -2.335883238e-01 -2.335883238e-01 4.88 -2.272101685e-01 -2.272101685e-01 4.90 -2.210023942e-01 -2.210023942e-01 4.92 -2.149606769e-01 -2.149606769e-01 4.94 -2.090807884e-01 -2.090807884e-01 4.96 -2.033585959e-01 -2.033585959e-01 4.98 -1.977900599e-01 -1.977900599e-01 5.00 -1.923712329e-01 -1.923712329e-01 5.02 -1.870982584e-01 -1.870982584e-01 5.04 -1.819673692e-01 -1.819673692e-01 5.06 -1.769748859e-01 -1.769748859e-01 5.08 -1.721172155e-01 -1.721172155e-01 5.10 -1.673908500e-01 -1.673908500e-01 5.12 -1.627923646e-01 -1.627923646e-01 5.14 -1.583184167e-01 -1.583184167e-01 5.16 -1.539657438e-01 -1.539657438e-01 5.18 -1.497311625e-01 -1.497311625e-01 5.20 -1.456115667e-01 -1.456115667e-01 5.22 -1.416039260e-01 -1.416039260e-01 5.24 -1.377052847e-01 -1.377052847e-01 5.26 -1.339127597e-01 -1.339127597e-01 5.28 -1.302235394e-01 -1.302235394e-01 5.30 -1.266348820e-01 -1.266348820e-01 5.32 -1.231441142e-01 -1.231441142e-01 5.34 -1.197486298e-01 -1.197486298e-01 5.36 -1.164458880e-01 -1.164458880e-01 5.38 -1.132334123e-01 -1.132334123e-01 5.40 -1.101087886e-01 -1.101087886e-01 5.42 -1.070696646e-01 -1.070696646e-01 5.44 -1.041137478e-01 -1.041137478e-01 5.46 -8.176695671e-02 -8.176695671e-02 5.48 -7.957647134e-02 -7.957647134e-02 5.50 -7.744389584e-02 -7.744389584e-02 5.52 -7.536774120e-02 -7.536774120e-02 5.54 -7.334655436e-02 -7.334655436e-02 5.56 -7.137891755e-02 -7.137891755e-02 5.58 -6.946344747e-02 -6.946344747e-02 5.60 -6.759879461e-02 -6.759879461e-02 5.62 -6.578364254e-02 -6.578364254e-02 5.64 -6.401670718e-02 -6.401670718e-02 5.66 -6.229673613e-02 -6.229673613e-02 5.68 -6.062250795e-02 -6.062250795e-02 5.70 -5.899283150e-02 -5.899283150e-02 5.72 -5.740654528e-02 -5.740654528e-02 5.74 -5.586251674e-02 -5.586251674e-02 5.76 -5.435964165e-02 -5.435964165e-02 5.78 -5.289684348e-02 -5.289684348e-02 5.80 -5.147307274e-02 -5.147307274e-02 5.82 -5.008730635e-02 -5.008730635e-02 5.84 -4.873854710e-02 -4.873854710e-02 5.86 -4.742582298e-02 -4.742582298e-02 5.88 -4.614818663e-02 -4.614818663e-02 5.90 -4.490471475e-02 -4.490471475e-02 5.92 -4.369450755e-02 -4.369450755e-02 5.94 -4.251668819e-02 -4.251668819e-02 5.96 -4.137040223e-02 -4.137040223e-02 5.98 -4.025481710e-02 -4.025481710e-02 6.00 -3.916912158e-02 -3.916912158e-02