# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Fe # implementation = 2025--Sharifi-H--Cu-Ni-Fe--LAMMPS--ipr1 # composition = CuFe2Ni # 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 6.315769334e+02 6.315769334e+02 1.00 5.731466797e+02 5.731466797e+02 1.02 5.203481280e+02 5.203481280e+02 1.04 4.725010006e+02 4.725010006e+02 1.06 4.290472586e+02 4.290472586e+02 1.08 3.895227575e+02 3.895227575e+02 1.10 3.535356959e+02 3.535356959e+02 1.12 3.207503481e+02 3.207503481e+02 1.14 2.908748383e+02 2.908748383e+02 1.16 2.636519775e+02 2.636519775e+02 1.18 2.388524373e+02 2.388524373e+02 1.20 2.162696672e+02 2.162696672e+02 1.22 1.957161146e+02 1.957161146e+02 1.24 1.770204115e+02 1.770204115e+02 1.26 1.600252598e+02 1.600252598e+02 1.28 1.445858298e+02 1.445858298e+02 1.30 1.305685243e+02 1.305685243e+02 1.32 1.178499957e+02 1.178499957e+02 1.34 1.063163613e+02 1.063163613e+02 1.36 9.586254156e+01 9.586254156e+01 1.38 8.639167810e+01 8.639167810e+01 1.40 7.781461153e+01 7.781461153e+01 1.42 7.004939932e+01 7.004939932e+01 1.44 6.302086593e+01 6.302086593e+01 1.46 5.666017278e+01 5.666017278e+01 1.48 5.090440483e+01 5.090440483e+01 1.50 4.569617202e+01 4.569617202e+01 1.52 4.098322602e+01 4.098322602e+01 1.54 3.671809166e+01 3.671809166e+01 1.56 3.285770883e+01 3.285770883e+01 1.58 2.936308381e+01 2.936308381e+01 1.60 2.619888473e+01 2.619888473e+01 1.62 2.333307364e+01 2.333307364e+01 1.64 2.073663802e+01 2.073663802e+01 1.66 1.838334609e+01 1.838334609e+01 1.68 1.624952012e+01 1.624952012e+01 1.70 1.431382454e+01 1.431382454e+01 1.72 1.255706254e+01 1.255706254e+01 1.74 1.096194698e+01 1.096194698e+01 1.76 9.512898590e+00 9.512898590e+00 1.78 8.195897745e+00 8.195897745e+00 1.80 6.998345432e+00 6.998345432e+00 1.82 5.908915077e+00 5.908915077e+00 1.84 4.917437737e+00 4.917437737e+00 1.86 4.014794984e+00 4.014794984e+00 1.88 3.192805982e+00 3.192805982e+00 1.90 2.444142493e+00 2.444142493e+00 1.92 1.762248942e+00 1.762248942e+00 1.94 1.141262846e+00 1.141262846e+00 1.96 5.759018275e-01 5.759018275e-01 1.98 6.137285943e-02 6.137285943e-02 2.00 -4.065604426e-01 -4.065604426e-01 2.02 -8.316234075e-01 -8.316234075e-01 2.04 -1.217230103e+00 -1.217230103e+00 2.06 -1.566519210e+00 -1.566519210e+00 2.08 -1.882376917e+00 -1.882376917e+00 2.10 -2.167457898e+00 -2.167457898e+00 2.12 -2.424204461e+00 -2.424204461e+00 2.14 -2.654863774e+00 -2.654863774e+00 2.16 -2.861502861e+00 -2.861502861e+00 2.18 -3.046024624e+00 -3.046024624e+00 2.20 -3.210181770e+00 -3.210181770e+00 2.22 -3.355589072e+00 -3.355589072e+00 2.24 -3.483734595e+00 -3.483734595e+00 2.26 -3.595989999e+00 -3.595989999e+00 2.28 -3.693619966e+00 -3.693619966e+00 2.30 -3.777790843e+00 -3.777790843e+00 2.32 -3.849578577e+00 -3.849578577e+00 2.34 -3.909975971e+00 -3.909975971e+00 2.36 -3.959899355e+00 -3.959899355e+00 2.38 -4.000194702e+00 -4.000194702e+00 2.40 -4.031643227e+00 -4.031643227e+00 2.42 -4.054971936e+00 -4.054971936e+00 2.44 -4.070868132e+00 -4.070868132e+00 2.46 -4.079968002e+00 -4.079968002e+00 2.48 -4.082857492e+00 -4.082857492e+00 2.50 -4.080076366e+00 -4.080076366e+00 2.52 -4.072121940e+00 -4.072121940e+00 2.54 -4.059452511e+00 -4.059452511e+00 2.56 -4.042490490e+00 -4.042490490e+00 2.58 -4.021625282e+00 -4.021625282e+00 2.60 -3.997215935e+00 -3.997215935e+00 2.62 -3.969593557e+00 -3.969593557e+00 2.64 -3.939063545e+00 -3.939063545e+00 2.66 -3.905907627e+00 -3.905907627e+00 2.68 -3.870385734e+00 -3.870385734e+00 2.70 -3.832737722e+00 -3.832737722e+00 2.72 -3.793184951e+00 -3.793184951e+00 2.74 -3.751931737e+00 -3.751931737e+00 2.76 -3.709166682e+00 -3.709166682e+00 2.78 -3.665063898e+00 -3.665063898e+00 2.80 -3.619784133e+00 -3.619784133e+00 2.82 -3.573475802e+00 -3.573475802e+00 2.84 -3.526275934e+00 -3.526275934e+00 2.86 -3.478311050e+00 -3.478311050e+00 2.88 -3.429697961e+00 -3.429697961e+00 2.90 -3.380544504e+00 -3.380544504e+00 2.92 -3.330950226e+00 -3.330950226e+00 2.94 -3.281007003e+00 -3.281007003e+00 2.96 -3.230799617e+00 -3.230799617e+00 2.98 -3.180406282e+00 -3.180406282e+00 3.00 -3.129899135e+00 -3.129899135e+00 3.02 -3.079344681e+00 -3.079344681e+00 3.04 -3.028804205e+00 -3.028804205e+00 3.06 -2.978334157e+00 -2.978334157e+00 3.08 -2.927986500e+00 -2.927986500e+00 3.10 -2.877809034e+00 -2.877809034e+00 3.12 -2.827845693e+00 -2.827845693e+00 3.14 -2.778136826e+00 -2.778136826e+00 3.16 -2.728719445e+00 -2.728719445e+00 3.18 -2.679627465e+00 -2.679627465e+00 3.20 -2.630891921e+00 -2.630891921e+00 3.22 -2.582541164e+00 -2.582541164e+00 3.24 -2.534601055e+00 -2.534601055e+00 3.26 -2.487095130e+00 -2.487095130e+00 3.28 -2.440044764e+00 -2.440044764e+00 3.30 -2.393469317e+00 -2.393469317e+00 3.32 -2.347386270e+00 -2.347386270e+00 3.34 -2.301811356e+00 -2.301811356e+00 3.36 -2.256758674e+00 -2.256758674e+00 3.38 -2.212240800e+00 -2.212240800e+00 3.40 -2.168268889e+00 -2.168268889e+00 3.42 -2.124852773e+00 -2.124852773e+00 3.44 -2.082001042e+00 -2.082001042e+00 3.46 -2.039721134e+00 -2.039721134e+00 3.48 -1.998019406e+00 -1.998019406e+00 3.50 -1.956901209e+00 -1.956901209e+00 3.52 -1.916370951e+00 -1.916370951e+00 3.54 -1.876432166e+00 -1.876432166e+00 3.56 -1.837087565e+00 -1.837087565e+00 3.58 -1.798339092e+00 -1.798339092e+00 3.60 -1.760187981e+00 -1.760187981e+00 3.62 -1.722634794e+00 -1.722634794e+00 3.64 -1.685679476e+00 -1.685679476e+00 3.66 -1.649321387e+00 -1.649321387e+00 3.68 -1.613559350e+00 -1.613559350e+00 3.70 -1.578391683e+00 -1.578391683e+00 3.72 -1.543816234e+00 -1.543816234e+00 3.74 -1.509830416e+00 -1.509830416e+00 3.76 -1.476431237e+00 -1.476431237e+00 3.78 -1.443615327e+00 -1.443615327e+00 3.80 -1.411378967e+00 -1.411378967e+00 3.82 -1.379718115e+00 -1.379718115e+00 3.84 -1.348628429e+00 -1.348628429e+00 3.86 -1.318105290e+00 -1.318105290e+00 3.88 -1.288143825e+00 -1.288143825e+00 3.90 -1.258738925e+00 -1.258738925e+00 3.92 -1.229885265e+00 -1.229885265e+00 3.94 -1.201577325e+00 -1.201577325e+00 3.96 -1.173809402e+00 -1.173809402e+00 3.98 -1.146575630e+00 -1.146575630e+00 4.00 -1.119869995e+00 -1.119869995e+00 4.02 -1.093686345e+00 -1.093686345e+00 4.04 -1.068018411e+00 -1.068018411e+00 4.06 -1.042859815e+00 -1.042859815e+00 4.08 -1.018204082e+00 -1.018204082e+00 4.10 -9.940446541e-01 -9.940446541e-01 4.12 -9.703748998e-01 -9.703748998e-01 4.14 -9.471881246e-01 -9.471881246e-01 4.16 -9.244775806e-01 -9.244775806e-01 4.18 -9.022364762e-01 -9.022364762e-01 4.20 -8.804579841e-01 -8.804579841e-01 4.22 -8.591352501e-01 -8.591352501e-01 4.24 -8.382614006e-01 -8.382614006e-01 4.26 -8.177612711e-01 -8.177612711e-01 4.28 -7.962376142e-01 -7.962376142e-01 4.30 -7.683826621e-01 -7.683826621e-01 4.32 -7.229332146e-01 -7.229332146e-01 4.34 -6.935315343e-01 -6.935315343e-01 4.36 -6.767428787e-01 -6.767428787e-01 4.38 -6.602973878e-01 -6.602973878e-01 4.40 -6.441901688e-01 -6.441901688e-01 4.42 -6.284163152e-01 -6.284163152e-01 4.44 -6.129709107e-01 -6.129709107e-01 4.46 -5.978490341e-01 -5.978490341e-01 4.48 -5.830457629e-01 -5.830457629e-01 4.50 -5.685561775e-01 -5.685561775e-01 4.52 -5.543753646e-01 -5.543753646e-01 4.54 -5.404984212e-01 -5.404984212e-01 4.56 -5.269204575e-01 -5.269204575e-01 4.58 -5.136365999e-01 -5.136365999e-01 4.60 -5.006419948e-01 -5.006419948e-01 4.62 -4.879318104e-01 -4.879318104e-01 4.64 -4.755012402e-01 -4.755012402e-01 4.66 -4.633455051e-01 -4.633455051e-01 4.68 -4.514598558e-01 -4.514598558e-01 4.70 -4.398395751e-01 -4.398395751e-01 4.72 -4.284799801e-01 -4.284799801e-01 4.74 -4.173764241e-01 -4.173764241e-01 4.76 -4.065242982e-01 -4.065242982e-01 4.78 -3.959190334e-01 -3.959190334e-01 4.80 -3.855561022e-01 -3.855561022e-01 4.82 -3.754310195e-01 -3.754310195e-01 4.84 -3.655393450e-01 -3.655393450e-01 4.86 -3.558766834e-01 -3.558766834e-01 4.88 -3.464386863e-01 -3.464386863e-01 4.90 -3.372210531e-01 -3.372210531e-01 4.92 -3.278042226e-01 -3.278042226e-01 4.94 -3.129063827e-01 -3.129063827e-01 4.96 -2.759159480e-01 -2.759159480e-01 4.98 -1.748771873e-01 -1.748771873e-01 5.00 -3.124516434e-22 -3.124391334e-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