# 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 = CoCrFe2 # 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 -5.946625902e+02 -5.946625902e+02 1.04 -5.596855192e+02 -5.596855192e+02 1.06 -5.276810678e+02 -5.276810678e+02 1.08 -4.980951546e+02 -4.980951546e+02 1.10 -4.703744802e+02 -4.703744802e+02 1.12 -4.443010568e+02 -4.443010568e+02 1.14 -4.197796675e+02 -4.197796675e+02 1.16 -3.966617174e+02 -3.966617174e+02 1.18 -3.746285242e+02 -3.746285242e+02 1.20 -3.533310746e+02 -3.533310746e+02 1.22 -3.328104667e+02 -3.328104667e+02 1.24 -3.135186715e+02 -3.135186715e+02 1.26 -2.958174984e+02 -2.958174984e+02 1.28 -2.797382833e+02 -2.797382833e+02 1.30 -2.650323273e+02 -2.650323273e+02 1.32 -2.514757166e+02 -2.514757166e+02 1.34 -2.388423524e+02 -2.388423524e+02 1.36 -2.268235676e+02 -2.268235676e+02 1.38 -2.151192591e+02 -2.151192591e+02 1.40 -2.035808724e+02 -2.035808724e+02 1.42 -1.922073419e+02 -1.922073419e+02 1.44 -1.810476112e+02 -1.810476112e+02 1.46 -1.700748768e+02 -1.700748768e+02 1.48 -1.591982753e+02 -1.591982753e+02 1.50 -1.483908692e+02 -1.483908692e+02 1.52 -1.376791529e+02 -1.376791529e+02 1.54 -1.271325968e+02 -1.271325968e+02 1.56 -1.168803806e+02 -1.168803806e+02 1.58 -1.071153004e+02 -1.071153004e+02 1.60 -9.799192997e+01 -9.799192997e+01 1.62 -8.952414122e+01 -8.952414122e+01 1.64 -8.163469031e+01 -8.163469031e+01 1.66 -7.425582829e+01 -7.425582829e+01 1.68 -6.734293549e+01 -6.734293549e+01 1.70 -6.082948045e+01 -6.082948045e+01 1.72 -5.463920726e+01 -5.463920726e+01 1.74 -4.870694143e+01 -4.870694143e+01 1.76 -4.300711111e+01 -4.300711111e+01 1.78 -3.754134181e+01 -3.754134181e+01 1.80 -3.232735400e+01 -3.232735400e+01 1.82 -2.738378438e+01 -2.738378438e+01 1.84 -2.271596042e+01 -2.271596042e+01 1.86 -1.830954061e+01 -1.830954061e+01 1.88 -1.424962599e+01 -1.424962599e+01 1.90 -1.086622638e+01 -1.086622638e+01 1.92 -8.141823668e+00 -8.141823668e+00 1.94 -6.144831150e+00 -6.144831150e+00 1.96 -4.729818974e+00 -4.729818974e+00 1.98 -3.749524026e+00 -3.749524026e+00 2.00 -3.091967533e+00 -3.091967533e+00 2.02 -2.677085761e+00 -2.677085761e+00 2.04 -2.448255067e+00 -2.448255067e+00 2.06 -2.362470704e+00 -2.362470704e+00 2.08 -2.383470315e+00 -2.383470315e+00 2.10 -2.479935114e+00 -2.479935114e+00 2.12 -2.624979374e+00 -2.624979374e+00 2.14 -2.796322613e+00 -2.796322613e+00 2.16 -2.977223619e+00 -2.977223619e+00 2.18 -3.156181051e+00 -3.156181051e+00 2.20 -3.324963900e+00 -3.324963900e+00 2.22 -3.479935985e+00 -3.479935985e+00 2.24 -3.621777863e+00 -3.621777863e+00 2.26 -3.750164054e+00 -3.750164054e+00 2.28 -3.864137160e+00 -3.864137160e+00 2.30 -3.963271934e+00 -3.963271934e+00 2.32 -4.047442974e+00 -4.047442974e+00 2.34 -4.116488804e+00 -4.116488804e+00 2.36 -4.170756377e+00 -4.170756377e+00 2.38 -4.211246780e+00 -4.211246780e+00 2.40 -4.239395751e+00 -4.239395751e+00 2.42 -4.256860754e+00 -4.256860754e+00 2.44 -4.265089268e+00 -4.265089268e+00 2.46 -4.265318697e+00 -4.265318697e+00 2.48 -4.258718948e+00 -4.258718948e+00 2.50 -4.246207327e+00 -4.246207327e+00 2.52 -4.228107973e+00 -4.228107973e+00 2.54 -4.204492256e+00 -4.204492256e+00 2.56 -4.175471591e+00 -4.175471591e+00 2.58 -4.141078467e+00 -4.141078467e+00 2.60 -4.101399038e+00 -4.101399038e+00 2.62 -4.056970007e+00 -4.056970007e+00 2.64 -4.008489208e+00 -4.008489208e+00 2.66 -3.956622355e+00 -3.956622355e+00 2.68 -3.901804970e+00 -3.901804970e+00 2.70 -3.844274397e+00 -3.844274397e+00 2.72 -3.784129977e+00 -3.784129977e+00 2.74 -3.721363430e+00 -3.721363430e+00 2.76 -3.655985159e+00 -3.655985159e+00 2.78 -3.588237397e+00 -3.588237397e+00 2.80 -3.518627129e+00 -3.518627129e+00 2.82 -3.447973271e+00 -3.447973271e+00 2.84 -3.377349214e+00 -3.377349214e+00 2.86 -3.308019240e+00 -3.308019240e+00 2.88 -3.241165183e+00 -3.241165183e+00 2.90 -3.177858477e+00 -3.177858477e+00 2.92 -3.118993145e+00 -3.118993145e+00 2.94 -3.065346047e+00 -3.065346047e+00 2.96 -3.017533091e+00 -3.017533091e+00 2.98 -2.976065786e+00 -2.976065786e+00 3.00 -2.940526189e+00 -2.940526189e+00 3.02 -2.904409571e+00 -2.904409571e+00 3.04 -2.858746714e+00 -2.858746714e+00 3.06 -2.794602212e+00 -2.794602212e+00 3.08 -2.703107305e+00 -2.703107305e+00 3.10 -2.575596479e+00 -2.575596479e+00 3.12 -2.403944156e+00 -2.403944156e+00 3.14 -2.180847853e+00 -2.180847853e+00 3.16 -1.900041549e+00 -1.900041549e+00 3.18 -1.557061300e+00 -1.557061300e+00 3.20 -1.152613466e+00 -1.152613466e+00 3.22 -1.098822080e+00 -1.098822080e+00 3.24 -1.055568913e+00 -1.055568913e+00 3.26 -1.013073068e+00 -1.013073068e+00 3.28 -9.710063814e-01 -9.710063814e-01 3.30 -9.289890748e-01 -9.289890748e-01 3.32 -8.866457319e-01 -8.866457319e-01 3.34 -8.436760737e-01 -8.436760737e-01 3.36 -7.999366131e-01 -7.999366131e-01 3.38 -7.554764540e-01 -7.554764540e-01 3.40 -7.105009449e-01 -7.105009449e-01 3.42 -6.653047697e-01 -6.653047697e-01 3.44 -6.202318611e-01 -6.202318611e-01 3.46 -5.756185152e-01 -5.756185152e-01 3.48 -5.317492409e-01 -5.317492409e-01 3.50 -4.888338739e-01 -4.888338739e-01 3.52 -4.470038127e-01 -4.470038127e-01 3.54 -4.063219832e-01 -4.063219832e-01 3.56 -3.668013445e-01 -3.668013445e-01 3.58 -3.284549798e-01 -3.284549798e-01 3.60 -2.913356137e-01 -2.913356137e-01 3.62 -2.554994203e-01 -2.554994203e-01 3.64 -2.209988242e-01 -2.209988242e-01 3.66 -1.878806335e-01 -1.878806335e-01 3.68 -1.561905953e-01 -1.561905953e-01 3.70 -1.259727117e-01 -1.259727117e-01 3.72 -9.726888805e-02 -9.726888805e-02 3.74 -7.011878944e-02 -7.011878944e-02 3.76 -4.455962170e-02 -4.455962170e-02 3.78 -2.062606014e-02 -2.062606014e-02 3.80 1.650045020e-03 1.650045020e-03 3.82 2.223971867e-02 2.223971867e-02 3.84 4.111697845e-02 4.111697845e-02 3.86 5.826247077e-02 5.826247077e-02 3.88 7.368951317e-02 7.368951317e-02 3.90 8.741557792e-02 8.741557792e-02 3.92 9.928958016e-02 9.928958016e-02 3.94 1.092312759e-01 1.092312759e-01 3.96 1.173429550e-01 1.173429550e-01 3.98 1.238201717e-01 1.238201717e-01 4.00 1.288906428e-01 1.288906428e-01 4.02 1.327731960e-01 1.327731960e-01 4.04 1.356521234e-01 1.356521234e-01 4.06 1.376642664e-01 1.376642664e-01 4.08 1.388958184e-01 1.388958184e-01 4.10 1.393865342e-01 1.393865342e-01 4.12 1.391392071e-01 1.391392071e-01 4.14 1.381244996e-01 1.381244996e-01 4.16 1.362909325e-01 1.362909325e-01 4.18 1.335919456e-01 1.335919456e-01 4.20 1.299995624e-01 1.299995624e-01 4.22 1.255074582e-01 1.255074582e-01 4.24 1.201501380e-01 1.201501380e-01 4.26 1.140153593e-01 1.140153593e-01 4.28 1.072429517e-01 1.072429517e-01 4.30 9.992131194e-02 9.992131194e-02 4.32 9.208332994e-02 9.208332994e-02 4.34 8.376172568e-02 8.376172568e-02 4.36 7.498881968e-02 7.498881968e-02 4.38 6.579642449e-02 6.579642449e-02 4.40 5.621675915e-02 5.621675915e-02 4.42 4.628283771e-02 4.628283771e-02 4.44 3.602935908e-02 3.602935908e-02 4.46 2.549405015e-02 2.549405015e-02 4.48 1.471883369e-02 1.471883369e-02 4.50 3.751400993e-03 3.751400993e-03 4.52 -7.352365039e-03 -7.352365039e-03 4.54 -1.852445109e-02 -1.852445109e-02 4.56 -2.969268488e-02 -2.969268488e-02 4.58 -4.077524592e-02 -4.077524592e-02 4.60 -5.167875825e-02 -5.167875825e-02 4.62 -6.230005660e-02 -6.230005660e-02 4.64 -7.253015047e-02 -7.253015047e-02 4.66 -8.225959357e-02 -8.225959357e-02 4.68 -9.138538899e-02 -9.138538899e-02 4.70 -9.981851416e-02 -9.981851416e-02 4.72 -1.074905259e-01 -1.074905259e-01 4.74 -1.143582133e-01 -1.143582133e-01 4.76 -1.204057352e-01 -1.204057352e-01 4.78 -1.256513771e-01 -1.256513771e-01 4.80 -1.301410194e-01 -1.301410194e-01 4.82 -1.339290466e-01 -1.339290466e-01 4.84 -1.370748592e-01 -1.370748592e-01 4.86 -1.396364378e-01 -1.396364378e-01 4.88 -1.416651383e-01 -1.416651383e-01 4.90 -1.432017389e-01 -1.432017389e-01 4.92 -1.442746899e-01 -1.442746899e-01 4.94 -1.448997745e-01 -1.448997745e-01 4.96 -1.450810497e-01 -1.450810497e-01 4.98 -1.448123871e-01 -1.448123871e-01 5.00 -1.440797500e-01 -1.440797500e-01 5.02 -1.428634648e-01 -1.428634648e-01 5.04 -1.411415408e-01 -1.411415408e-01 5.06 -1.388978225e-01 -1.388978225e-01 5.08 -1.361208592e-01 -1.361208592e-01 5.10 -1.328008719e-01 -1.328008719e-01 5.12 -1.289305375e-01 -1.289305375e-01 5.14 -1.245060360e-01 -1.245060360e-01 5.16 -1.195283476e-01 -1.195283476e-01 5.18 -1.140048817e-01 -1.140048817e-01 5.20 -1.079511321e-01 -1.079511321e-01 5.22 -1.013947629e-01 -1.013947629e-01 5.24 -9.438773984e-02 -9.438773984e-02 5.26 -8.700002513e-02 -8.700002513e-02 5.28 -7.931671431e-02 -7.931671431e-02 5.30 -7.143850936e-02 -7.143850936e-02 5.32 -6.348071805e-02 -6.348071805e-02 5.34 -5.557082170e-02 -5.557082170e-02 5.36 -4.784396828e-02 -4.784396828e-02 5.38 -4.043701643e-02 -4.043701643e-02 5.40 -3.348062749e-02 -3.348062749e-02 5.42 -2.709098434e-02 -2.709098434e-02 5.44 -2.136166453e-02 -2.136166453e-02 5.46 -1.635706298e-02 -1.635706298e-02 5.48 -1.210841716e-02 -1.210841716e-02 5.50 -8.613118816e-03 -8.613118816e-03 5.52 -5.837206627e-03 -5.837206627e-03 5.54 -3.718983585e-03 -3.718983585e-03 5.56 -2.173709674e-03 -2.173709674e-03 5.58 -1.107485581e-03 -1.107485581e-03 5.60 -4.227817175e-04 -4.227817175e-04 5.62 -2.624872682e-05 -2.624872682e-05 5.64 1.658634518e-04 1.658634518e-04 5.66 2.245282832e-04 2.245282832e-04 5.68 2.063213511e-04 2.063213511e-04 5.70 1.534350433e-04 1.534350433e-04 5.72 9.457933676e-05 9.457933676e-05 5.74 4.652920277e-05 4.652920277e-05 5.76 1.616365416e-05 1.616365416e-05 5.78 2.706335609e-06 2.706335609e-06 5.80 -2.092435344e-09 -2.096422413e-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