# 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 = CoFe2Ni # 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 6.891905440e+02 6.891905440e+02 1.00 6.306033670e+02 6.306033670e+02 1.02 5.763654378e+02 5.763654378e+02 1.04 5.262958828e+02 5.262958828e+02 1.06 4.801797625e+02 4.801797625e+02 1.08 4.377835460e+02 4.377835460e+02 1.10 3.988665503e+02 3.988665503e+02 1.12 3.631887233e+02 3.631887233e+02 1.14 3.305158073e+02 3.305158073e+02 1.16 3.006226350e+02 3.006226350e+02 1.18 2.732951068e+02 2.732951068e+02 1.20 2.483312492e+02 2.483312492e+02 1.22 2.255416434e+02 2.255416434e+02 1.24 2.047494280e+02 2.047494280e+02 1.26 1.857900227e+02 1.857900227e+02 1.28 1.685106775e+02 1.685106775e+02 1.30 1.527699200e+02 1.527699200e+02 1.32 1.384369482e+02 1.384369482e+02 1.34 1.253910024e+02 1.253910024e+02 1.36 1.135207390e+02 1.135207390e+02 1.38 1.027236184e+02 1.027236184e+02 1.40 9.290531400e+01 9.290531400e+01 1.42 8.397914945e+01 8.397914945e+01 1.44 7.586556610e+01 7.586556610e+01 1.46 6.849161986e+01 6.849161986e+01 1.48 6.179050632e+01 6.179050632e+01 1.50 5.570111365e+01 5.570111365e+01 1.52 5.016759643e+01 5.016759643e+01 1.54 4.513892758e+01 4.513892758e+01 1.56 4.056850087e+01 4.056850087e+01 1.58 3.641380457e+01 3.641380457e+01 1.60 3.263611640e+01 3.263611640e+01 1.62 2.920021718e+01 2.920021718e+01 1.64 2.607412011e+01 2.607412011e+01 1.66 2.322881448e+01 2.322881448e+01 1.68 2.063802700e+01 2.063802700e+01 1.70 1.827799794e+01 1.827799794e+01 1.72 1.612726711e+01 1.612726711e+01 1.74 1.416644181e+01 1.416644181e+01 1.76 1.237799095e+01 1.237799095e+01 1.78 1.074608581e+01 1.074608581e+01 1.80 9.256452837e+00 9.256452837e+00 1.82 7.896240929e+00 7.896240929e+00 1.84 6.653895909e+00 6.653895909e+00 1.86 5.519042350e+00 5.519042350e+00 1.88 4.482373891e+00 4.482373891e+00 1.90 3.535554256e+00 3.535554256e+00 1.92 2.671124841e+00 2.671124841e+00 1.94 1.882414418e+00 1.882414418e+00 1.96 1.163416290e+00 1.163416290e+00 1.98 5.086635693e-01 5.086635693e-01 2.00 -8.686871491e-02 -8.686871491e-02 2.02 -6.277988201e-01 -6.277988201e-01 2.04 -1.118379887e+00 -1.118379887e+00 2.06 -1.562536518e+00 -1.562536518e+00 2.08 -1.963890799e+00 -1.963890799e+00 2.10 -2.325786188e+00 -2.325786188e+00 2.12 -2.651309408e+00 -2.651309408e+00 2.14 -2.943310342e+00 -2.943310342e+00 2.16 -3.204419673e+00 -3.204419673e+00 2.18 -3.437067010e+00 -3.437067010e+00 2.20 -3.643496950e+00 -3.643496950e+00 2.22 -3.825783436e+00 -3.825783436e+00 2.24 -3.985842961e+00 -3.985842961e+00 2.26 -4.125446740e+00 -4.125446740e+00 2.28 -4.246231908e+00 -4.246231908e+00 2.30 -4.349711824e+00 -4.349711824e+00 2.32 -4.437285578e+00 -4.437285578e+00 2.34 -4.510246734e+00 -4.510246734e+00 2.36 -4.569791392e+00 -4.569791392e+00 2.38 -4.617025622e+00 -4.617025622e+00 2.40 -4.652972304e+00 -4.652972304e+00 2.42 -4.678579205e+00 -4.678579205e+00 2.44 -4.694728093e+00 -4.694728093e+00 2.46 -4.702244052e+00 -4.702244052e+00 2.48 -4.701903409e+00 -4.701903409e+00 2.50 -4.694422045e+00 -4.694422045e+00 2.52 -4.680458669e+00 -4.680458669e+00 2.54 -4.660619385e+00 -4.660619385e+00 2.56 -4.635461884e+00 -4.635461884e+00 2.58 -4.605499300e+00 -4.605499300e+00 2.60 -4.571203759e+00 -4.571203759e+00 2.62 -4.533009636e+00 -4.533009636e+00 2.64 -4.491316553e+00 -4.491316553e+00 2.66 -4.446492137e+00 -4.446492137e+00 2.68 -4.398874550e+00 -4.398874550e+00 2.70 -4.348774823e+00 -4.348774823e+00 2.72 -4.296478998e+00 -4.296478998e+00 2.74 -4.242250093e+00 -4.242250093e+00 2.76 -4.186329923e+00 -4.186329923e+00 2.78 -4.128940757e+00 -4.128940757e+00 2.80 -4.070286857e+00 -4.070286857e+00 2.82 -4.010555884e+00 -4.010555884e+00 2.84 -3.949920195e+00 -3.949920195e+00 2.86 -3.888538036e+00 -3.888538036e+00 2.88 -3.826554645e+00 -3.826554645e+00 2.90 -3.764103257e+00 -3.764103257e+00 2.92 -3.701306039e+00 -3.701306039e+00 2.94 -3.638274946e+00 -3.638274946e+00 2.96 -3.575112513e+00 -3.575112513e+00 2.98 -3.511912580e+00 -3.511912580e+00 3.00 -3.448760966e+00 -3.448760966e+00 3.02 -3.385736084e+00 -3.385736084e+00 3.04 -3.322909510e+00 -3.322909510e+00 3.06 -3.260346510e+00 -3.260346510e+00 3.08 -3.198106521e+00 -3.198106521e+00 3.10 -3.136243601e+00 -3.136243601e+00 3.12 -3.074806831e+00 -3.074806831e+00 3.14 -3.013840704e+00 -3.013840704e+00 3.16 -2.953385465e+00 -2.953385465e+00 3.18 -2.893477442e+00 -2.893477442e+00 3.20 -2.834149336e+00 -2.834149336e+00 3.22 -2.775430500e+00 -2.775430500e+00 3.24 -2.717347190e+00 -2.717347190e+00 3.26 -2.659922801e+00 -2.659922801e+00 3.28 -2.603178082e+00 -2.603178082e+00 3.30 -2.547131337e+00 -2.547131337e+00 3.32 -2.491798611e+00 -2.491798611e+00 3.34 -2.437193856e+00 -2.437193856e+00 3.36 -2.383329095e+00 -2.383329095e+00 3.38 -2.330214568e+00 -2.330214568e+00 3.40 -2.277858862e+00 -2.277858862e+00 3.42 -2.226269043e+00 -2.226269043e+00 3.44 -2.175450766e+00 -2.175450766e+00 3.46 -2.125408389e+00 -2.125408389e+00 3.48 -2.076145065e+00 -2.076145065e+00 3.50 -2.027662841e+00 -2.027662841e+00 3.52 -1.979962737e+00 -1.979962737e+00 3.54 -1.933044826e+00 -1.933044826e+00 3.56 -1.886908310e+00 -1.886908310e+00 3.58 -1.841551582e+00 -1.841551582e+00 3.60 -1.796972289e+00 -1.796972289e+00 3.62 -1.753167389e+00 -1.753167389e+00 3.64 -1.710133205e+00 -1.710133205e+00 3.66 -1.667865469e+00 -1.667865469e+00 3.68 -1.626359371e+00 -1.626359371e+00 3.70 -1.585609597e+00 -1.585609597e+00 3.72 -1.545610369e+00 -1.545610369e+00 3.74 -1.506355481e+00 -1.506355481e+00 3.76 -1.467838331e+00 -1.467838331e+00 3.78 -1.430051956e+00 -1.430051956e+00 3.80 -1.392989062e+00 -1.392989062e+00 3.82 -1.356642051e+00 -1.356642051e+00 3.84 -1.321003055e+00 -1.321003055e+00 3.86 -1.286063959e+00 -1.286063959e+00 3.88 -1.251816435e+00 -1.251816435e+00 3.90 -1.218251962e+00 -1.218251962e+00 3.92 -1.185361860e+00 -1.185361860e+00 3.94 -1.153137309e+00 -1.153137309e+00 3.96 -1.121569382e+00 -1.121569382e+00 3.98 -1.090649060e+00 -1.090649060e+00 4.00 -1.060367264e+00 -1.060367264e+00 4.02 -1.030714871e+00 -1.030714871e+00 4.04 -1.001682733e+00 -1.001682733e+00 4.06 -9.732617001e-01 -9.732617001e-01 4.08 -9.454426324e-01 -9.454426324e-01 4.10 -9.182164168e-01 -9.182164168e-01 4.12 -8.915739790e-01 -8.915739790e-01 4.14 -8.655062951e-01 -8.655062951e-01 4.16 -8.400044010e-01 -8.400044010e-01 4.18 -8.150594009e-01 -8.150594009e-01 4.20 -7.906624742e-01 -7.906624742e-01 4.22 -7.668048812e-01 -7.668048812e-01 4.24 -7.434779689e-01 -7.434779689e-01 4.26 -7.201587164e-01 -7.201587164e-01 4.28 -6.862257577e-01 -6.862257577e-01 4.30 -6.085733357e-01 -6.085733357e-01 4.32 -4.667127490e-01 -4.667127490e-01 4.34 -4.238348179e-01 -4.238348179e-01 4.36 -4.097846640e-01 -4.097846640e-01 4.38 -3.962349767e-01 -3.962349767e-01 4.40 -3.831621469e-01 -3.831621469e-01 4.42 -3.705430167e-01 -3.705430167e-01 4.44 -3.583551334e-01 -3.583551334e-01 4.46 -3.465769607e-01 -3.465769607e-01 4.48 -3.351880442e-01 -3.351880442e-01 4.50 -3.241691311e-01 -3.241691311e-01 4.52 -3.135022446e-01 -3.135022446e-01 4.54 -3.031707178e-01 -3.031707178e-01 4.56 -2.931591902e-01 -2.931591902e-01 4.58 -2.834535727e-01 -2.834535727e-01 4.60 -2.740409874e-01 -2.740409874e-01 4.62 -2.649096872e-01 -2.649096872e-01 4.64 -2.560489629e-01 -2.560489629e-01 4.66 -2.474490411e-01 -2.474490411e-01 4.68 -2.391009807e-01 -2.391009807e-01 4.70 -2.309965691e-01 -2.309965691e-01 4.72 -2.231282242e-01 -2.231282242e-01 4.74 -2.154889031e-01 -2.154889031e-01 4.76 -2.080720202e-01 -2.080720202e-01 4.78 -2.008713746e-01 -2.008713746e-01 4.80 -1.938810882e-01 -1.938810882e-01 4.82 -1.870955540e-01 -1.870955540e-01 4.84 -1.805093929e-01 -1.805093929e-01 4.86 -1.741174196e-01 -1.741174196e-01 4.88 -1.679146156e-01 -1.679146156e-01 4.90 -1.618961081e-01 -1.618961081e-01 4.92 -1.561963928e-01 -1.561963928e-01 4.94 -1.524861321e-01 -1.524861321e-01 4.96 -1.505442699e-01 -1.505442699e-01 4.98 -1.187739671e-01 -1.187739671e-01 5.00 -3.231501651e-22 -3.231944420e-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