# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co # implementation = 2025--Sharifi-H--Cr-Ni-Co--LAMMPS--ipr1 # composition = CoCrNi2 # 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 4.109010114e+02 4.109010114e+02 1.00 3.754427532e+02 3.754427532e+02 1.02 3.431065126e+02 3.431065126e+02 1.04 3.136219919e+02 3.136219919e+02 1.06 2.867396124e+02 2.867396124e+02 1.08 2.622294046e+02 2.622294046e+02 1.10 2.398799211e+02 2.398799211e+02 1.12 2.194971620e+02 2.194971620e+02 1.14 2.009035061e+02 2.009035061e+02 1.16 1.839364201e+02 1.839364201e+02 1.18 1.685919267e+02 1.685919267e+02 1.20 1.548191002e+02 1.548191002e+02 1.22 1.423679417e+02 1.423679417e+02 1.24 1.310383872e+02 1.310383872e+02 1.26 1.206711939e+02 1.206711939e+02 1.28 1.111395504e+02 1.111395504e+02 1.30 1.023422532e+02 1.023422532e+02 1.32 9.419818228e+01 9.419818228e+01 1.34 8.664186506e+01 8.664186506e+01 1.36 7.961993838e+01 7.961993838e+01 1.38 7.308834657e+01 7.308834657e+01 1.40 6.701013957e+01 6.701013957e+01 1.42 6.135366684e+01 6.135366684e+01 1.44 5.609114531e+01 5.609114531e+01 1.46 5.119769524e+01 5.119769524e+01 1.48 4.665064477e+01 4.665064477e+01 1.50 4.242902400e+01 4.242902400e+01 1.52 3.851320488e+01 3.851320488e+01 1.54 3.488465132e+01 3.488465132e+01 1.56 3.152575169e+01 3.152575169e+01 1.58 2.841971121e+01 2.841971121e+01 1.60 2.555048680e+01 2.555048680e+01 1.62 2.290275096e+01 2.290275096e+01 1.64 2.046187440e+01 2.046187440e+01 1.66 1.821391971e+01 1.821391971e+01 1.68 1.614564055e+01 1.614564055e+01 1.70 1.424448242e+01 1.424448242e+01 1.72 1.249858231e+01 1.249858231e+01 1.74 1.089676190e+01 1.089676190e+01 1.76 9.428357787e+00 9.428357787e+00 1.78 8.083150940e+00 8.083150940e+00 1.80 6.851576068e+00 6.851576068e+00 1.82 5.724722457e+00 5.724722457e+00 1.84 4.694313641e+00 4.694313641e+00 1.86 3.752683914e+00 3.752683914e+00 1.88 2.892752378e+00 2.892752378e+00 1.90 2.107995225e+00 2.107995225e+00 1.92 1.392416679e+00 1.392416679e+00 1.94 7.405190988e-01 7.405190988e-01 1.96 1.472727912e-01 1.472727912e-01 1.98 -3.919145225e-01 -3.919145225e-01 2.00 -8.812413132e-01 -8.812413132e-01 2.02 -1.324574737e+00 -1.324574737e+00 2.04 -1.725485742e+00 -1.725485742e+00 2.06 -2.087272740e+00 -2.087272740e+00 2.08 -2.412983209e+00 -2.412983209e+00 2.10 -2.705433504e+00 -2.705433504e+00 2.12 -2.967226967e+00 -2.967226967e+00 2.14 -3.200770552e+00 -3.200770552e+00 2.16 -3.408290078e+00 -3.408290078e+00 2.18 -3.591844121e+00 -3.591844121e+00 2.20 -3.753336793e+00 -3.753336793e+00 2.22 -3.894529734e+00 -3.894529734e+00 2.24 -4.017052981e+00 -4.017052981e+00 2.26 -4.122414949e+00 -4.122414949e+00 2.28 -4.212011603e+00 -4.212011603e+00 2.30 -4.287134655e+00 -4.287134655e+00 2.32 -4.348970269e+00 -4.348970269e+00 2.34 -4.398605563e+00 -4.398605563e+00 2.36 -4.437047970e+00 -4.437047970e+00 2.38 -4.465237621e+00 -4.465237621e+00 2.40 -4.484239896e+00 -4.484239896e+00 2.42 -4.495241606e+00 -4.495241606e+00 2.44 -4.499294757e+00 -4.499294757e+00 2.46 -4.497317144e+00 -4.497317144e+00 2.48 -4.490108151e+00 -4.490108151e+00 2.50 -4.478362835e+00 -4.478362835e+00 2.52 -4.462684477e+00 -4.462684477e+00 2.54 -4.443595772e+00 -4.443595772e+00 2.56 -4.421548751e+00 -4.421548751e+00 2.58 -4.396933620e+00 -4.396933620e+00 2.60 -4.370086594e+00 -4.370086594e+00 2.62 -4.341296836e+00 -4.341296836e+00 2.64 -4.310812604e+00 -4.310812604e+00 2.66 -4.278846684e+00 -4.278846684e+00 2.68 -4.245581184e+00 -4.245581184e+00 2.70 -4.211171753e+00 -4.211171753e+00 2.72 -4.175751303e+00 -4.175751303e+00 2.74 -4.139433266e+00 -4.139433266e+00 2.76 -4.102314455e+00 -4.102314455e+00 2.78 -4.064477558e+00 -4.064477558e+00 2.80 -4.025993322e+00 -4.025993322e+00 2.82 -3.986922444e+00 -3.986922444e+00 2.84 -3.947317217e+00 -3.947317217e+00 2.86 -3.907222952e+00 -3.907222952e+00 2.88 -3.866679202e+00 -3.866679202e+00 2.90 -3.825720809e+00 -3.825720809e+00 2.92 -3.784378807e+00 -3.784378807e+00 2.94 -3.742681185e+00 -3.742681185e+00 2.96 -3.700653528e+00 -3.700653528e+00 2.98 -3.658319562e+00 -3.658319562e+00 3.00 -3.615701606e+00 -3.615701606e+00 3.02 -3.572820944e+00 -3.572820944e+00 3.04 -3.529698129e+00 -3.529698129e+00 3.06 -3.486353230e+00 -3.486353230e+00 3.08 -3.442806024e+00 -3.442806024e+00 3.10 -3.399076149e+00 -3.399076149e+00 3.12 -3.355183216e+00 -3.355183216e+00 3.14 -3.311146886e+00 -3.311146886e+00 3.16 -3.266986931e+00 -3.266986931e+00 3.18 -3.222723258e+00 -3.222723258e+00 3.20 -3.178375922e+00 -3.178375922e+00 3.22 -3.133965127e+00 -3.133965127e+00 3.24 -3.089511203e+00 -3.089511203e+00 3.26 -3.045034587e+00 -3.045034587e+00 3.28 -3.000555784e+00 -3.000555784e+00 3.30 -2.956095328e+00 -2.956095328e+00 3.32 -2.911673744e+00 -2.911673744e+00 3.34 -2.867311494e+00 -2.867311494e+00 3.36 -2.823028936e+00 -2.823028936e+00 3.38 -2.778846275e+00 -2.778846275e+00 3.40 -2.734783513e+00 -2.734783513e+00 3.42 -2.690860408e+00 -2.690860408e+00 3.44 -2.647096422e+00 -2.647096422e+00 3.46 -2.603510686e+00 -2.603510686e+00 3.48 -2.560121957e+00 -2.560121957e+00 3.50 -2.516948578e+00 -2.516948578e+00 3.52 -2.474008447e+00 -2.474008447e+00 3.54 -2.431318980e+00 -2.431318980e+00 3.56 -2.388897087e+00 -2.388897087e+00 3.58 -2.346759145e+00 -2.346759145e+00 3.60 -2.304920968e+00 -2.304920968e+00 3.62 -2.263397797e+00 -2.263397797e+00 3.64 -2.222204275e+00 -2.222204275e+00 3.66 -2.181354434e+00 -2.181354434e+00 3.68 -2.140861684e+00 -2.140861684e+00 3.70 -2.100738804e+00 -2.100738804e+00 3.72 -2.060997936e+00 -2.060997936e+00 3.74 -2.021650577e+00 -2.021650577e+00 3.76 -1.982707580e+00 -1.982707580e+00 3.78 -1.944179156e+00 -1.944179156e+00 3.80 -1.906074870e+00 -1.906074870e+00 3.82 -1.868403651e+00 -1.868403651e+00 3.84 -1.831173796e+00 -1.831173796e+00 3.86 -1.794392975e+00 -1.794392975e+00 3.88 -1.758068241e+00 -1.758068241e+00 3.90 -1.722206042e+00 -1.722206042e+00 3.92 -1.686812230e+00 -1.686812230e+00 3.94 -1.651892072e+00 -1.651892072e+00 3.96 -1.617450266e+00 -1.617450266e+00 3.98 -1.583490952e+00 -1.583490952e+00 4.00 -1.550017729e+00 -1.550017729e+00 4.02 -1.517033665e+00 -1.517033665e+00 4.04 -1.484541317e+00 -1.484541317e+00 4.06 -1.452542745e+00 -1.452542745e+00 4.08 -1.421039526e+00 -1.421039526e+00 4.10 -1.390032770e+00 -1.390032770e+00 4.12 -1.359523136e+00 -1.359523136e+00 4.14 -1.329510848e+00 -1.329510848e+00 4.16 -1.299995708e+00 -1.299995708e+00 4.18 -1.270977112e+00 -1.270977112e+00 4.20 -1.242454067e+00 -1.242454067e+00 4.22 -1.214425202e+00 -1.214425202e+00 4.24 -1.186888783e+00 -1.186888783e+00 4.26 -1.159725732e+00 -1.159725732e+00 4.28 -1.130625309e+00 -1.130625309e+00 4.30 -1.093572447e+00 -1.093572447e+00 4.32 -1.047460938e+00 -1.047460938e+00 4.34 -1.017615169e+00 -1.017615169e+00 4.36 -9.945807894e-01 -9.945807894e-01 4.38 -9.719578983e-01 -9.719578983e-01 4.40 -9.497442789e-01 -9.497442789e-01 4.42 -9.279374363e-01 -9.279374363e-01 4.44 -9.065346118e-01 -9.065346118e-01 4.46 -8.855327991e-01 -8.855327991e-01 4.48 -8.649287592e-01 -8.649287592e-01 4.50 -8.447190364e-01 -8.447190364e-01 4.52 -8.248999748e-01 -8.248999748e-01 4.54 -8.054677341e-01 -8.054677341e-01 4.56 -7.864183058e-01 -7.864183058e-01 4.58 -7.677475289e-01 -7.677475289e-01 4.60 -7.494511059e-01 -7.494511059e-01 4.62 -7.315246171e-01 -7.315246171e-01 4.64 -7.139635353e-01 -7.139635353e-01 4.66 -6.967632392e-01 -6.967632392e-01 4.68 -6.799190261e-01 -6.799190261e-01 4.70 -6.634261236e-01 -6.634261236e-01 4.72 -6.472797006e-01 -6.472797006e-01 4.74 -6.314748767e-01 -6.314748767e-01 4.76 -6.160067315e-01 -6.160067315e-01 4.78 -6.008703125e-01 -6.008703125e-01 4.80 -5.860606420e-01 -5.860606420e-01 4.82 -5.715727237e-01 -5.715727237e-01 4.84 -5.574015487e-01 -5.574015487e-01 4.86 -5.435421000e-01 -5.435421000e-01 4.88 -5.299893576e-01 -5.299893576e-01 4.90 -5.167383024e-01 -5.167383024e-01 4.92 -5.023006936e-01 -5.023006936e-01 4.94 -4.682065350e-01 -4.682065350e-01 4.96 -3.706020975e-01 -3.706020975e-01 4.98 -1.760566341e-01 -1.760566341e-01 5.00 -5.665331871e-23 -5.659916315e-23 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