# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Co # implementation = 2025--Sharifi-H--Fe-Ni-Co--LAMMPS--ipr1 # composition = Co2FeNi # 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 5.921489677e+02 5.921489677e+02 1.00 5.373539308e+02 5.373539308e+02 1.02 4.860262019e+02 4.860262019e+02 1.04 4.384394817e+02 4.384394817e+02 1.06 3.946798713e+02 3.946798713e+02 1.08 3.547016538e+02 3.547016538e+02 1.10 3.183699574e+02 3.183699574e+02 1.12 2.854925040e+02 2.854925040e+02 1.14 2.558430002e+02 2.558430002e+02 1.16 2.291781443e+02 2.291781443e+02 1.18 2.052497656e+02 2.052497656e+02 1.20 1.838132904e+02 1.838132904e+02 1.22 1.646334452e+02 1.646334452e+02 1.24 1.474879044e+02 1.474879044e+02 1.26 1.321694257e+02 1.321694257e+02 1.28 1.184868840e+02 1.184868840e+02 1.30 1.062655268e+02 1.062655268e+02 1.32 9.534668232e+01 9.534668232e+01 1.34 8.558710403e+01 8.558710403e+01 1.36 7.685808646e+01 7.685808646e+01 1.38 6.904444500e+01 6.904444500e+01 1.40 6.204343635e+01 6.204343635e+01 1.42 5.576366774e+01 5.576366774e+01 1.44 5.012402826e+01 5.012402826e+01 1.46 4.505266922e+01 4.505266922e+01 1.48 4.048604490e+01 4.048604490e+01 1.50 3.636802268e+01 3.636802268e+01 1.52 3.264906772e+01 3.264906772e+01 1.54 2.928549976e+01 2.928549976e+01 1.56 2.623882188e+01 2.623882188e+01 1.58 2.347511797e+01 2.347511797e+01 1.60 2.096451322e+01 2.096451322e+01 1.62 1.868069411e+01 1.868069411e+01 1.64 1.660048221e+01 1.660048221e+01 1.66 1.470345643e+01 1.470345643e+01 1.68 1.297161994e+01 1.297161994e+01 1.70 1.138910623e+01 1.138910623e+01 1.72 9.941920181e+00 9.941920181e+00 1.74 8.617710444e+00 8.617710444e+00 1.76 7.405548536e+00 7.405548536e+00 1.78 6.295676436e+00 6.295676436e+00 1.80 5.279305419e+00 5.279305419e+00 1.82 4.348503136e+00 4.348503136e+00 1.84 3.496105955e+00 3.496105955e+00 1.86 2.715641079e+00 2.715641079e+00 1.88 2.001257259e+00 2.001257259e+00 1.90 1.347663293e+00 1.347663293e+00 1.92 7.500731178e-01 7.500731178e-01 1.94 2.041567293e-01 2.041567293e-01 1.96 -2.940043055e-01 -2.940043055e-01 1.98 -7.479786283e-01 -7.479786283e-01 2.00 -1.161064414e+00 -1.161064414e+00 2.02 -1.536321094e+00 -1.536321094e+00 2.04 -1.876586814e+00 -1.876586814e+00 2.06 -2.184494488e+00 -2.184494488e+00 2.08 -2.462486660e+00 -2.462486660e+00 2.10 -2.712829292e+00 -2.712829292e+00 2.12 -2.937624497e+00 -2.937624497e+00 2.14 -3.138822347e+00 -3.138822347e+00 2.16 -3.318231827e+00 -3.318231827e+00 2.18 -3.477530797e+00 -3.477530797e+00 2.20 -3.618274281e+00 -3.618274281e+00 2.22 -3.741904136e+00 -3.741904136e+00 2.24 -3.849757845e+00 -3.849757845e+00 2.26 -3.943075970e+00 -3.943075970e+00 2.28 -4.023009042e+00 -4.023009042e+00 2.30 -4.090623704e+00 -4.090623704e+00 2.32 -4.146899577e+00 -4.146899577e+00 2.34 -4.192734100e+00 -4.192734100e+00 2.36 -4.228960396e+00 -4.228960396e+00 2.38 -4.256352511e+00 -4.256352511e+00 2.40 -4.275629452e+00 -4.275629452e+00 2.42 -4.287458963e+00 -4.287458963e+00 2.44 -4.292461151e+00 -4.292461151e+00 2.46 -4.291220970e+00 -4.291220970e+00 2.48 -4.284295231e+00 -4.284295231e+00 2.50 -4.272199011e+00 -4.272199011e+00 2.52 -4.255407191e+00 -4.255407191e+00 2.54 -4.234357448e+00 -4.234357448e+00 2.56 -4.209453015e+00 -4.209453015e+00 2.58 -4.181065250e+00 -4.181065250e+00 2.60 -4.149535997e+00 -4.149535997e+00 2.62 -4.115179786e+00 -4.115179786e+00 2.64 -4.078285854e+00 -4.078285854e+00 2.66 -4.039120032e+00 -4.039120032e+00 2.68 -3.997926472e+00 -3.997926472e+00 2.70 -3.954929260e+00 -3.954929260e+00 2.72 -3.910333900e+00 -3.910333900e+00 2.74 -3.864328687e+00 -3.864328687e+00 2.76 -3.817085979e+00 -3.817085979e+00 2.78 -3.768763373e+00 -3.768763373e+00 2.80 -3.719504788e+00 -3.719504788e+00 2.82 -3.669441470e+00 -3.669441470e+00 2.84 -3.618692919e+00 -3.618692919e+00 2.86 -3.567367748e+00 -3.567367748e+00 2.88 -3.515564473e+00 -3.515564473e+00 2.90 -3.463372248e+00 -3.463372248e+00 2.92 -3.410871537e+00 -3.410871537e+00 2.94 -3.358134744e+00 -3.358134744e+00 2.96 -3.305226788e+00 -3.305226788e+00 2.98 -3.252205637e+00 -3.252205637e+00 3.00 -3.199122802e+00 -3.199122802e+00 3.02 -3.146023795e+00 -3.146023795e+00 3.04 -3.092948547e+00 -3.092948547e+00 3.06 -3.039931804e+00 -3.039931804e+00 3.08 -2.987003487e+00 -2.987003487e+00 3.10 -2.934189030e+00 -2.934189030e+00 3.12 -2.881509697e+00 -2.881509697e+00 3.14 -2.828982876e+00 -2.828982876e+00 3.16 -2.776622354e+00 -2.776622354e+00 3.18 -2.724438590e+00 -2.724438590e+00 3.20 -2.672438963e+00 -2.672438963e+00 3.22 -2.620628019e+00 -2.620628019e+00 3.24 -2.569007716e+00 -2.569007716e+00 3.26 -2.517577666e+00 -2.517577666e+00 3.28 -2.466335381e+00 -2.466335381e+00 3.30 -2.415276524e+00 -2.415276524e+00 3.32 -2.364395175e+00 -2.364395175e+00 3.34 -2.313684111e+00 -2.313684111e+00 3.36 -2.263135104e+00 -2.263135104e+00 3.38 -2.212739246e+00 -2.212739246e+00 3.40 -2.162487300e+00 -2.162487300e+00 3.42 -2.112370081e+00 -2.112370081e+00 3.44 -2.062378875e+00 -2.062378875e+00 3.46 -2.012505896e+00 -2.012505896e+00 3.48 -1.962744772e+00 -1.962744772e+00 3.50 -1.913091084e+00 -1.913091084e+00 3.52 -1.863542927e+00 -1.863542927e+00 3.54 -1.814101509e+00 -1.814101509e+00 3.56 -1.764771774e+00 -1.764771774e+00 3.58 -1.715563029e+00 -1.715563029e+00 3.60 -1.666489582e+00 -1.666489582e+00 3.62 -1.617571343e+00 -1.617571343e+00 3.64 -1.568834392e+00 -1.568834392e+00 3.66 -1.520311464e+00 -1.520311464e+00 3.68 -1.472042341e+00 -1.472042341e+00 3.70 -1.424074099e+00 -1.424074099e+00 3.72 -1.376461189e+00 -1.376461189e+00 3.74 -1.329265312e+00 -1.329265312e+00 3.76 -1.282555061e+00 -1.282555061e+00 3.78 -1.236405306e+00 -1.236405306e+00 3.80 -1.190896313e+00 -1.190896313e+00 3.82 -1.146112582e+00 -1.146112582e+00 3.84 -1.102141432e+00 -1.102141432e+00 3.86 -1.059071352e+00 -1.059071352e+00 3.88 -1.016990161e+00 -1.016990161e+00 3.90 -9.759830482e-01 -9.759830482e-01 3.92 -9.361305547e-01 -9.361305547e-01 3.94 -8.975065851e-01 -8.975065851e-01 3.96 -8.601765371e-01 -8.601765371e-01 3.98 -8.241956327e-01 -8.241956327e-01 4.00 -7.896075293e-01 -7.896075293e-01 4.02 -7.564432777e-01 -7.564432777e-01 4.04 -7.247206724e-01 -7.247206724e-01 4.06 -6.944440212e-01 -6.944440212e-01 4.08 -6.656043375e-01 -6.656043375e-01 4.10 -6.381799361e-01 -6.381799361e-01 4.12 -6.121373926e-01 -6.121373926e-01 4.14 -5.874328111e-01 -5.874328111e-01 4.16 -5.640133308e-01 -5.640133308e-01 4.18 -5.418187962e-01 -5.418187962e-01 4.20 -5.207835125e-01 -5.207835125e-01 4.22 -5.008380123e-01 -5.008380123e-01 4.24 -4.819107636e-01 -4.819107636e-01 4.26 -4.639950692e-01 -4.639950692e-01 4.28 -4.485215176e-01 -4.485215176e-01 4.30 -4.405384714e-01 -4.405384714e-01 4.32 -4.432411138e-01 -4.432411138e-01 4.34 -4.342556709e-01 -4.342556709e-01 4.36 -4.200627271e-01 -4.200627271e-01 4.38 -4.062474246e-01 -4.062474246e-01 4.40 -3.927918680e-01 -3.927918680e-01 4.42 -3.796805437e-01 -3.796805437e-01 4.44 -3.668999760e-01 -3.668999760e-01 4.46 -3.544384072e-01 -3.544384072e-01 4.48 -3.422855059e-01 -3.422855059e-01 4.50 -3.304321105e-01 -3.304321105e-01 4.52 -3.188700055e-01 -3.188700055e-01 4.54 -3.075917334e-01 -3.075917334e-01 4.56 -2.965904380e-01 -2.965904380e-01 4.58 -2.858597378e-01 -2.858597378e-01 4.60 -2.753936253e-01 -2.753936253e-01 4.62 -2.651863888e-01 -2.651863888e-01 4.64 -2.552325527e-01 -2.552325527e-01 4.66 -2.455268332e-01 -2.455268332e-01 4.68 -2.360641053e-01 -2.360641053e-01 4.70 -2.268393801e-01 -2.268393801e-01 4.72 -2.178477877e-01 -2.178477877e-01 4.74 -2.090845658e-01 -2.090845658e-01 4.76 -2.005450512e-01 -2.005450512e-01 4.78 -1.922246742e-01 -1.922246742e-01 4.80 -1.841189538e-01 -1.841189538e-01 4.82 -1.762234944e-01 -1.762234944e-01 4.84 -1.685339828e-01 -1.685339828e-01 4.86 -1.610461852e-01 -1.610461852e-01 4.88 -1.537559452e-01 -1.537559452e-01 4.90 -1.466591807e-01 -1.466591807e-01 4.92 -1.394203396e-01 -1.394203396e-01 4.94 -1.280364488e-01 -1.280364488e-01 4.96 -1.030167838e-01 -1.030167838e-01 4.98 -5.408780877e-02 -5.408780877e-02 5.00 -2.153782410e-22 -2.142891914e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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