# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = CoCrNi2 # 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 2024-03-01 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 -3.779534824e+02 -3.779534824e+02 1.04 -3.561031178e+02 -3.561031178e+02 1.06 -3.357540891e+02 -3.357540891e+02 1.08 -3.169293303e+02 -3.169293303e+02 1.10 -2.993468786e+02 -2.993468786e+02 1.12 -2.826340337e+02 -2.826340337e+02 1.14 -2.666514110e+02 -2.666514110e+02 1.16 -2.513828031e+02 -2.513828031e+02 1.18 -2.369551163e+02 -2.369551163e+02 1.20 -2.235730212e+02 -2.235730212e+02 1.22 -2.112878006e+02 -2.112878006e+02 1.24 -1.999839309e+02 -1.999839309e+02 1.26 -1.895186703e+02 -1.895186703e+02 1.28 -1.798064548e+02 -1.798064548e+02 1.30 -1.706909330e+02 -1.706909330e+02 1.32 -1.620033841e+02 -1.620033841e+02 1.34 -1.536062682e+02 -1.536062682e+02 1.36 -1.454558958e+02 -1.454558958e+02 1.38 -1.375758180e+02 -1.375758180e+02 1.40 -1.299541868e+02 -1.299541868e+02 1.42 -1.224912457e+02 -1.224912457e+02 1.44 -1.150832162e+02 -1.150832162e+02 1.46 -1.076635601e+02 -1.076635601e+02 1.48 -1.002136400e+02 -1.002136400e+02 1.50 -9.275860001e+01 -9.275860001e+01 1.52 -8.534700574e+01 -8.534700574e+01 1.54 -7.802287525e+01 -7.802287525e+01 1.56 -7.080318050e+01 -7.080318050e+01 1.58 -6.368543433e+01 -6.368543433e+01 1.60 -5.667559524e+01 -5.667559524e+01 1.62 -4.981879024e+01 -4.981879024e+01 1.64 -4.320762270e+01 -4.320762270e+01 1.66 -3.694710432e+01 -3.694710432e+01 1.68 -3.109402625e+01 -3.109402625e+01 1.70 -2.564945692e+01 -2.564945692e+01 1.72 -2.061083631e+01 -2.061083631e+01 1.74 -1.598159165e+01 -1.598159165e+01 1.76 -1.176284376e+01 -1.176284376e+01 1.78 -8.103056925e+00 -8.103056925e+00 1.80 -5.416785726e+00 -5.416785726e+00 1.82 -3.553900233e+00 -3.553900233e+00 1.84 -2.306868161e+00 -2.306868161e+00 1.86 -1.521993313e+00 -1.521993313e+00 1.88 -1.078993497e+00 -1.078993497e+00 1.90 -8.811436396e-01 -8.811436396e-01 1.92 -8.524495573e-01 -8.524495573e-01 1.94 -9.387168009e-01 -9.387168009e-01 1.96 -1.101430405e+00 -1.101430405e+00 1.98 -1.310991956e+00 -1.310991956e+00 2.00 -1.546259773e+00 -1.546259773e+00 2.02 -1.792405575e+00 -1.792405575e+00 2.04 -2.039963717e+00 -2.039963717e+00 2.06 -2.283357719e+00 -2.283357719e+00 2.08 -2.519060861e+00 -2.519060861e+00 2.10 -2.744257839e+00 -2.744257839e+00 2.12 -2.956970519e+00 -2.956970519e+00 2.14 -3.155894325e+00 -3.155894325e+00 2.16 -3.339353234e+00 -3.339353234e+00 2.18 -3.505467228e+00 -3.505467228e+00 2.20 -3.651263114e+00 -3.651263114e+00 2.22 -3.775399826e+00 -3.775399826e+00 2.24 -3.880260564e+00 -3.880260564e+00 2.26 -3.967843471e+00 -3.967843471e+00 2.28 -4.039508736e+00 -4.039508736e+00 2.30 -4.096996930e+00 -4.096996930e+00 2.32 -4.142703113e+00 -4.142703113e+00 2.34 -4.178836592e+00 -4.178836592e+00 2.36 -4.207269028e+00 -4.207269028e+00 2.38 -4.229476027e+00 -4.229476027e+00 2.40 -4.246124148e+00 -4.246124148e+00 2.42 -4.257275109e+00 -4.257275109e+00 2.44 -4.262663587e+00 -4.262663587e+00 2.46 -4.262398123e+00 -4.262398123e+00 2.48 -4.257335484e+00 -4.257335484e+00 2.50 -4.248298716e+00 -4.248298716e+00 2.52 -4.235079832e+00 -4.235079832e+00 2.54 -4.217033850e+00 -4.217033850e+00 2.56 -4.193570326e+00 -4.193570326e+00 2.58 -4.164218701e+00 -4.164218701e+00 2.60 -4.128877123e+00 -4.128877123e+00 2.62 -4.087637547e+00 -4.087637547e+00 2.64 -4.040742066e+00 -4.040742066e+00 2.66 -3.988561763e+00 -3.988561763e+00 2.68 -3.931414550e+00 -3.931414550e+00 2.70 -3.869634884e+00 -3.869634884e+00 2.72 -3.803624389e+00 -3.803624389e+00 2.74 -3.733827373e+00 -3.733827373e+00 2.76 -3.660764027e+00 -3.660764027e+00 2.78 -3.585151098e+00 -3.585151098e+00 2.80 -3.507973565e+00 -3.507973565e+00 2.82 -3.430253057e+00 -3.430253057e+00 2.84 -3.352838600e+00 -3.352838600e+00 2.86 -3.276237231e+00 -3.276237231e+00 2.88 -3.200391199e+00 -3.200391199e+00 2.90 -3.124913929e+00 -3.124913929e+00 2.92 -3.049638109e+00 -3.049638109e+00 2.94 -2.973990294e+00 -2.973990294e+00 2.96 -2.897042125e+00 -2.897042125e+00 2.98 -2.818149067e+00 -2.818149067e+00 3.00 -2.737017594e+00 -2.737017594e+00 3.02 -2.653658671e+00 -2.653658671e+00 3.04 -2.568304847e+00 -2.568304847e+00 3.06 -2.481173031e+00 -2.481173031e+00 3.08 -2.392338332e+00 -2.392338332e+00 3.10 -2.301924769e+00 -2.301924769e+00 3.12 -2.210129931e+00 -2.210129931e+00 3.14 -2.117328248e+00 -2.117328248e+00 3.16 -2.024445917e+00 -2.024445917e+00 3.18 -1.932424901e+00 -1.932424901e+00 3.20 -1.842020272e+00 -1.842020272e+00 3.22 -1.753806243e+00 -1.753806243e+00 3.24 -1.668247537e+00 -1.668247537e+00 3.26 -1.585705332e+00 -1.585705332e+00 3.28 -1.506439429e+00 -1.506439429e+00 3.30 -1.430603145e+00 -1.430603145e+00 3.32 -1.358234521e+00 -1.358234521e+00 3.34 -1.289251776e+00 -1.289251776e+00 3.36 -1.223490922e+00 -1.223490922e+00 3.38 -1.160726530e+00 -1.160726530e+00 3.40 -1.100720099e+00 -1.100720099e+00 3.42 -1.043345886e+00 -1.043345886e+00 3.44 -9.885045429e-01 -9.885045429e-01 3.46 -9.361142743e-01 -9.361142743e-01 3.48 -8.861157749e-01 -8.861157749e-01 3.50 -8.384682947e-01 -8.384682947e-01 3.52 -7.931419050e-01 -7.931419050e-01 3.54 -7.501097276e-01 -7.501097276e-01 3.56 -7.093415164e-01 -7.093415164e-01 3.58 -6.707709451e-01 -6.707709451e-01 3.60 -6.342769106e-01 -6.342769106e-01 3.62 -5.997312491e-01 -5.997312491e-01 3.64 -5.670087310e-01 -5.670087310e-01 3.66 -5.360151264e-01 -5.360151264e-01 3.68 -5.066676101e-01 -5.066676101e-01 3.70 -4.788827394e-01 -4.788827394e-01 3.72 -4.525763822e-01 -4.525763822e-01 3.74 -4.276641014e-01 -4.276641014e-01 3.76 -4.040610460e-01 -4.040610460e-01 3.78 -3.816822590e-01 -3.816822590e-01 3.80 -3.604425594e-01 -3.604425594e-01 3.82 -3.402567907e-01 -3.402567907e-01 3.84 -3.210398559e-01 -3.210398559e-01 3.86 -3.027115702e-01 -3.027115702e-01 3.88 -2.852324628e-01 -2.852324628e-01 3.90 -2.685837229e-01 -2.685837229e-01 3.92 -2.527466667e-01 -2.527466667e-01 3.94 -2.377007808e-01 -2.377007808e-01 3.96 -2.234223969e-01 -2.234223969e-01 3.98 -2.098869708e-01 -2.098869708e-01 4.00 -1.970689875e-01 -1.970689875e-01 4.02 -1.849423567e-01 -1.849423567e-01 4.04 -1.734801469e-01 -1.734801469e-01 4.06 -1.626546995e-01 -1.626546995e-01 4.08 -1.524376247e-01 -1.524376247e-01 4.10 -1.427999406e-01 -1.427999406e-01 4.12 -1.337115952e-01 -1.337115952e-01 4.14 -1.251285838e-01 -1.251285838e-01 4.16 -1.169845597e-01 -1.169845597e-01 4.18 -1.092106420e-01 -1.092106420e-01 4.20 -1.017451301e-01 -1.017451301e-01 4.22 -9.456859056e-02 -9.456859056e-02 4.24 -8.767488503e-02 -8.767488503e-02 4.26 -8.106088578e-02 -8.106088578e-02 4.28 -7.472144297e-02 -7.472144297e-02 4.30 -6.864913831e-02 -6.864913831e-02 4.32 -6.283527064e-02 -6.283527064e-02 4.34 -5.727068346e-02 -5.727068346e-02 4.36 -5.194607931e-02 -5.194607931e-02 4.38 -4.685265088e-02 -4.685265088e-02 4.40 -4.198213609e-02 -4.198213609e-02 4.42 -3.732710834e-02 -3.732710834e-02 4.44 -3.288106670e-02 -3.288106670e-02 4.46 -2.863857921e-02 -2.863857921e-02 4.48 -2.459522910e-02 -2.459522910e-02 4.50 -2.074788937e-02 -2.074788937e-02 4.52 -1.709482224e-02 -1.709482224e-02 4.54 -1.363649282e-02 -1.363649282e-02 4.56 -1.037469693e-02 -1.037469693e-02 4.58 -7.312561782e-03 -7.312561782e-03 4.60 -4.454734558e-03 -4.454734558e-03 4.62 -1.807123217e-03 -1.807123217e-03 4.64 6.232763446e-04 6.232763446e-04 4.66 2.829570622e-03 2.829570622e-03 4.68 4.841584946e-03 4.841584946e-03 4.70 6.697228873e-03 6.697228873e-03 4.72 8.429042597e-03 8.429042597e-03 4.74 1.006497105e-02 1.006497105e-02 4.76 1.162902204e-02 1.162902204e-02 4.78 1.315619616e-02 1.315619616e-02 4.80 1.468203916e-02 1.468203916e-02 4.82 1.621236006e-02 1.621236006e-02 4.84 1.774240056e-02 1.774240056e-02 4.86 1.926069689e-02 1.926069689e-02 4.88 2.074869034e-02 2.074869034e-02 4.90 2.218152682e-02 2.218152682e-02 4.92 2.352891801e-02 2.352891801e-02 4.94 2.475639982e-02 2.475639982e-02 4.96 2.582693386e-02 2.582693386e-02 4.98 2.670275910e-02 2.670275910e-02 5.00 2.734721881e-02 2.734721881e-02 5.02 2.772685375e-02 2.772685375e-02 5.04 2.781432352e-02 2.781432352e-02 5.06 2.760028125e-02 2.760028125e-02 5.08 2.709038374e-02 2.709038374e-02 5.10 2.630000573e-02 2.630000573e-02 5.12 2.525499342e-02 2.525499342e-02 5.14 2.399143359e-02 2.399143359e-02 5.16 2.255528155e-02 2.255528155e-02 5.18 2.100064377e-02 2.100064377e-02 5.20 1.938735052e-02 1.938735052e-02 5.22 1.777813744e-02 1.777813744e-02 5.24 1.623640597e-02 1.623640597e-02 5.26 1.481646070e-02 1.481646070e-02 5.28 1.355676400e-02 1.355676400e-02 5.30 1.247676585e-02 1.247676585e-02 5.32 1.157566590e-02 1.157566590e-02 5.34 1.083339731e-02 1.083339731e-02 5.36 1.021459709e-02 1.021459709e-02 5.38 9.674363574e-03 9.674363574e-03 5.40 9.165440969e-03 9.165440969e-03 5.42 8.645375932e-03 8.645375932e-03 5.44 8.082317101e-03 8.082317101e-03 5.46 7.458988024e-03 7.458988024e-03 5.48 6.774118645e-03 6.774118645e-03 5.50 6.041715794e-03 6.041715794e-03 5.52 5.288828929e-03 5.288828929e-03 5.54 4.543174260e-03 4.543174260e-03 5.56 3.818293716e-03 3.818293716e-03 5.58 3.128327001e-03 3.128327001e-03 5.60 2.488265985e-03 2.488265985e-03 5.62 1.911699687e-03 1.911699687e-03 5.64 1.409192116e-03 1.409192116e-03 5.66 9.875928079e-04 9.875928079e-04 5.68 6.492931723e-04 6.492931723e-04 5.70 3.923326885e-04 3.923326885e-04 5.72 2.105941966e-04 2.105941966e-04 5.74 9.433957821e-05 9.433957821e-05 5.76 3.086590951e-05 3.086590951e-05 5.78 4.990466565e-06 4.990466565e-06 5.80 7.801644970e-09 7.790792714e-09 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00