# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Al-Mn # implementation = 2025--Sharifi-H--Cr-Al-Mn--LAMMPS--ipr1 # composition = AlCr2Mn # 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 3.998195835e+02 3.998195835e+02 1.00 3.684749471e+02 3.684749471e+02 1.02 3.396268758e+02 3.396268758e+02 1.04 3.144264940e+02 3.144264940e+02 1.06 2.927083909e+02 2.927083909e+02 1.08 2.736696559e+02 2.736696559e+02 1.10 2.566861546e+02 2.566861546e+02 1.12 2.412795547e+02 2.412795547e+02 1.14 2.270895986e+02 2.270895986e+02 1.16 2.138502161e+02 2.138502161e+02 1.18 2.013693178e+02 2.013693178e+02 1.20 1.895119425e+02 1.895119425e+02 1.22 1.781864029e+02 1.781864029e+02 1.24 1.673330650e+02 1.673330650e+02 1.26 1.569153864e+02 1.569153864e+02 1.28 1.469128930e+02 1.469128930e+02 1.30 1.373157493e+02 1.373157493e+02 1.32 1.281206407e+02 1.281206407e+02 1.34 1.193277300e+02 1.193277300e+02 1.36 1.109384715e+02 1.109384715e+02 1.38 1.029540894e+02 1.029540894e+02 1.40 9.537458651e+01 9.537458651e+01 1.42 8.819815938e+01 8.819815938e+01 1.44 8.142092240e+01 8.142092240e+01 1.46 7.503682100e+01 7.503682100e+01 1.48 6.903770401e+01 6.903770401e+01 1.50 6.341350460e+01 6.341350460e+01 1.52 5.815248192e+01 5.815248192e+01 1.54 5.324149896e+01 5.324149896e+01 1.56 4.866629879e+01 4.866629879e+01 1.58 4.441178254e+01 4.441178254e+01 1.60 4.046227972e+01 4.046227972e+01 1.62 3.680177279e+01 3.680177279e+01 1.64 3.341410421e+01 3.341410421e+01 1.66 3.028316388e+01 3.028316388e+01 1.68 2.739307155e+01 2.739307155e+01 1.70 2.472831921e+01 2.472831921e+01 1.72 2.227388153e+01 2.227388153e+01 1.74 2.001530174e+01 2.001530174e+01 1.76 1.793875683e+01 1.793875683e+01 1.78 1.603111423e+01 1.603111423e+01 1.80 1.427994890e+01 1.427994890e+01 1.82 1.267353067e+01 1.267353067e+01 1.84 1.120082277e+01 1.120082277e+01 1.86 9.851477444e+00 9.851477444e+00 1.88 8.615824015e+00 8.615824015e+00 1.90 7.484859200e+00 7.484859200e+00 1.92 6.450222785e+00 6.450222785e+00 1.94 5.504159693e+00 5.504159693e+00 1.96 4.639491298e+00 4.639491298e+00 1.98 3.849586991e+00 3.849586991e+00 2.00 3.128365880e+00 3.128365880e+00 2.02 2.470260389e+00 2.470260389e+00 2.04 1.870141878e+00 1.870141878e+00 2.06 1.323287993e+00 1.323287993e+00 2.08 8.253530126e-01 8.253530126e-01 2.10 3.723385114e-01 3.723385114e-01 2.12 -3.943365219e-02 -3.943365219e-02 2.14 -4.133463241e-01 -4.133463241e-01 2.16 -7.525101548e-01 -7.525101548e-01 2.18 -1.059787750e+00 -1.059787750e+00 2.20 -1.337821779e+00 -1.337821779e+00 2.22 -1.589041914e+00 -1.589041914e+00 2.24 -1.815678237e+00 -1.815678237e+00 2.26 -2.019777236e+00 -2.019777236e+00 2.28 -2.203216537e+00 -2.203216537e+00 2.30 -2.367718444e+00 -2.367718444e+00 2.32 -2.514862434e+00 -2.514862434e+00 2.34 -2.646096626e+00 -2.646096626e+00 2.36 -2.762748362e+00 -2.762748362e+00 2.38 -2.866033950e+00 -2.866033950e+00 2.40 -2.957067659e+00 -2.957067659e+00 2.42 -3.036870030e+00 -3.036870030e+00 2.44 -3.106375570e+00 -3.106375570e+00 2.46 -3.166439867e+00 -3.166439867e+00 2.48 -3.217846181e+00 -3.217846181e+00 2.50 -3.261311524e+00 -3.261311524e+00 2.52 -3.297492242e+00 -3.297492242e+00 2.54 -3.326989132e+00 -3.326989132e+00 2.56 -3.350344569e+00 -3.350344569e+00 2.58 -3.368014823e+00 -3.368014823e+00 2.60 -3.380408392e+00 -3.380408392e+00 2.62 -3.387904657e+00 -3.387904657e+00 2.64 -3.390857072e+00 -3.390857072e+00 2.66 -3.389594557e+00 -3.389594557e+00 2.68 -3.384421702e+00 -3.384421702e+00 2.70 -3.375620201e+00 -3.375620201e+00 2.72 -3.363450226e+00 -3.363450226e+00 2.74 -3.348151729e+00 -3.348151729e+00 2.76 -3.329945699e+00 -3.329945699e+00 2.78 -3.309035392e+00 -3.309035392e+00 2.80 -3.285607573e+00 -3.285607573e+00 2.82 -3.259833773e+00 -3.259833773e+00 2.84 -3.231871575e+00 -3.231871575e+00 2.86 -3.201865930e+00 -3.201865930e+00 2.88 -3.169950480e+00 -3.169950480e+00 2.90 -3.136248890e+00 -3.136248890e+00 2.92 -3.100876161e+00 -3.100876161e+00 2.94 -3.063939916e+00 -3.063939916e+00 2.96 -3.025541646e+00 -3.025541646e+00 2.98 -2.985777924e+00 -2.985777924e+00 3.00 -2.944741575e+00 -2.944741575e+00 3.02 -2.902519592e+00 -2.902519592e+00 3.04 -2.859163595e+00 -2.859163595e+00 3.06 -2.814755756e+00 -2.814755756e+00 3.08 -2.769529147e+00 -2.769529147e+00 3.10 -2.723476653e+00 -2.723476653e+00 3.12 -2.676688358e+00 -2.676688358e+00 3.14 -2.629258713e+00 -2.629258713e+00 3.16 -2.581284965e+00 -2.581284965e+00 3.18 -2.532867201e+00 -2.532867201e+00 3.20 -2.484108119e+00 -2.484108119e+00 3.22 -2.435112522e+00 -2.435112522e+00 3.24 -2.385986544e+00 -2.385986544e+00 3.26 -2.336836654e+00 -2.336836654e+00 3.28 -2.287768458e+00 -2.287768458e+00 3.30 -2.238885383e+00 -2.238885383e+00 3.32 -2.190287305e+00 -2.190287305e+00 3.34 -2.142069191e+00 -2.142069191e+00 3.36 -2.094319827e+00 -2.094319827e+00 3.38 -2.047120696e+00 -2.047120696e+00 3.40 -2.000545063e+00 -2.000545063e+00 3.42 -1.954657295e+00 -1.954657295e+00 3.44 -1.909512434e+00 -1.909512434e+00 3.46 -1.865156049e+00 -1.865156049e+00 3.48 -1.821624319e+00 -1.821624319e+00 3.50 -1.778944362e+00 -1.778944362e+00 3.52 -1.737134742e+00 -1.737134742e+00 3.54 -1.696206148e+00 -1.696206148e+00 3.56 -1.656162176e+00 -1.656162176e+00 3.58 -1.617000186e+00 -1.617000186e+00 3.60 -1.578712199e+00 -1.578712199e+00 3.62 -1.541285788e+00 -1.541285788e+00 3.64 -1.504704947e+00 -1.504704947e+00 3.66 -1.468950902e+00 -1.468950902e+00 3.68 -1.434002869e+00 -1.434002869e+00 3.70 -1.399838713e+00 -1.399838713e+00 3.72 -1.366435543e+00 -1.366435543e+00 3.74 -1.333770207e+00 -1.333770207e+00 3.76 -1.301819708e+00 -1.301819708e+00 3.78 -1.270561539e+00 -1.270561539e+00 3.80 -1.239973939e+00 -1.239973939e+00 3.82 -1.210036088e+00 -1.210036088e+00 3.84 -1.180728233e+00 -1.180728233e+00 3.86 -1.152031773e+00 -1.152031773e+00 3.88 -1.123929290e+00 -1.123929290e+00 3.90 -1.096404552e+00 -1.096404552e+00 3.92 -1.069442484e+00 -1.069442484e+00 3.94 -1.043029113e+00 -1.043029113e+00 3.96 -1.017151506e+00 -1.017151506e+00 3.98 -9.917976875e-01 -9.917976875e-01 4.00 -9.669565554e-01 -9.669565554e-01 4.02 -9.426177931e-01 -9.426177931e-01 4.04 -9.187717802e-01 -9.187717802e-01 4.06 -8.954095068e-01 -8.954095068e-01 4.08 -8.725224908e-01 -8.725224908e-01 4.10 -8.501027023e-01 -8.501027023e-01 4.12 -8.281424928e-01 -8.281424928e-01 4.14 -8.066345324e-01 -8.066345324e-01 4.16 -7.855717537e-01 -7.855717537e-01 4.18 -7.649473029e-01 -7.649473029e-01 4.20 -7.447544981e-01 -7.447544981e-01 4.22 -7.249867940e-01 -7.249867940e-01 4.24 -7.056377522e-01 -7.056377522e-01 4.26 -6.865426099e-01 -6.865426099e-01 4.28 -6.645213694e-01 -6.645213694e-01 4.30 -6.305120884e-01 -6.305120884e-01 4.32 -5.779954307e-01 -5.779954307e-01 4.34 -5.495664851e-01 -5.495664851e-01 4.36 -5.345325084e-01 -5.345325084e-01 4.38 -5.198151797e-01 -5.198151797e-01 4.40 -5.054101017e-01 -5.054101017e-01 4.42 -4.913128516e-01 -4.913128516e-01 4.44 -4.775189845e-01 -4.775189845e-01 4.46 -4.640240364e-01 -4.640240364e-01 4.48 -4.508235284e-01 -4.508235284e-01 4.50 -4.379129700e-01 -4.379129700e-01 4.52 -4.252878636e-01 -4.252878636e-01 4.54 -4.129437083e-01 -4.129437083e-01 4.56 -4.008760041e-01 -4.008760041e-01 4.58 -3.890802556e-01 -3.890802556e-01 4.60 -3.775519756e-01 -3.775519756e-01 4.62 -3.662866890e-01 -3.662866890e-01 4.64 -3.552799360e-01 -3.552799360e-01 4.66 -3.445272755e-01 -3.445272755e-01 4.68 -3.340242878e-01 -3.340242878e-01 4.70 -3.237665778e-01 -3.237665778e-01 4.72 -3.137497775e-01 -3.137497775e-01 4.74 -3.039695484e-01 -3.039695484e-01 4.76 -2.944215839e-01 -2.944215839e-01 4.78 -2.851016117e-01 -2.851016117e-01 4.80 -2.760053952e-01 -2.760053952e-01 4.82 -2.671287360e-01 -2.671287360e-01 4.84 -2.584674751e-01 -2.584674751e-01 4.86 -2.500174945e-01 -2.500174945e-01 4.88 -2.417747190e-01 -2.417747190e-01 4.90 -2.337351172e-01 -2.337351172e-01 4.92 -2.251783138e-01 -2.251783138e-01 4.94 -2.073047474e-01 -2.073047474e-01 4.96 -1.600498205e-01 -1.600498205e-01 4.98 -7.152947907e-02 -7.152947907e-02 5.00 -4.888522200e-24 -4.889811746e-24 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