# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Co # implementation = 2025--Sharifi-H--Cu-Ni-Co--LAMMPS--ipr1 # composition = CoCu2Ni # 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 8.064268304e+02 8.064268304e+02 1.00 7.532949283e+02 7.532949283e+02 1.02 7.020750850e+02 7.020750850e+02 1.04 6.527102325e+02 6.527102325e+02 1.06 6.052255696e+02 6.052255696e+02 1.08 5.596893717e+02 5.596893717e+02 1.10 5.161856689e+02 5.161856689e+02 1.12 4.747959648e+02 4.747959648e+02 1.14 4.355876876e+02 4.355876876e+02 1.16 3.986076027e+02 3.986076027e+02 1.18 3.638787909e+02 3.638787909e+02 1.20 3.314001164e+02 3.314001164e+02 1.22 3.011473773e+02 3.011473773e+02 1.24 2.730755166e+02 2.730755166e+02 1.26 2.471214264e+02 2.471214264e+02 1.28 2.232070229e+02 2.232070229e+02 1.30 2.012423606e+02 2.012423606e+02 1.32 1.811286265e+02 1.811286265e+02 1.34 1.627609160e+02 1.627609160e+02 1.36 1.460307165e+02 1.460307165e+02 1.38 1.308280734e+02 1.308280734e+02 1.40 1.170434299e+02 1.170434299e+02 1.42 1.045691512e+02 1.045691512e+02 1.44 9.330075167e+01 9.330075167e+01 1.46 8.313784986e+01 8.313784986e+01 1.48 7.398488020e+01 7.398488020e+01 1.50 6.575159164e+01 6.575159164e+01 1.52 5.835336396e+01 5.835336396e+01 1.54 5.171136897e+01 5.171136897e+01 1.56 4.575260422e+01 4.575260422e+01 1.58 4.040982477e+01 4.040982477e+01 1.60 3.562139484e+01 3.562139484e+01 1.62 3.133107322e+01 3.133107322e+01 1.64 2.748775232e+01 2.748775232e+01 1.66 2.404516757e+01 2.404516757e+01 1.68 2.096158796e+01 2.096158796e+01 1.70 1.819949595e+01 1.819949595e+01 1.72 1.572526478e+01 1.572526478e+01 1.74 1.350884055e+01 1.350884055e+01 1.76 1.152343230e+01 1.152343230e+01 1.78 9.745214575e+00 9.745214575e+00 1.80 8.153043005e+00 8.153043005e+00 1.82 6.728150551e+00 6.728150551e+00 1.84 5.453822001e+00 5.453822001e+00 1.86 4.315112946e+00 4.315112946e+00 1.88 3.298622069e+00 3.298622069e+00 1.90 2.392250701e+00 2.392250701e+00 1.92 1.585049252e+00 1.585049252e+00 1.94 8.671108302e-01 8.671108302e-01 1.96 2.294752903e-01 2.294752903e-01 1.98 -3.359582435e-01 -3.359582435e-01 2.00 -8.365108501e-01 -8.365108501e-01 2.02 -1.278795970e+00 -1.278795970e+00 2.04 -1.668785237e+00 -1.668785237e+00 2.06 -2.011868219e+00 -2.011868219e+00 2.08 -2.312906729e+00 -2.312906729e+00 2.10 -2.576284308e+00 -2.576284308e+00 2.12 -2.805951089e+00 -2.805951089e+00 2.14 -3.005464655e+00 -3.005464655e+00 2.16 -3.178027189e+00 -3.178027189e+00 2.18 -3.326519167e+00 -3.326519167e+00 2.20 -3.453530045e+00 -3.453530045e+00 2.22 -3.561386125e+00 -3.561386125e+00 2.24 -3.652179611e+00 -3.652179611e+00 2.26 -3.727795976e+00 -3.727795976e+00 2.28 -3.789925142e+00 -3.789925142e+00 2.30 -3.840008970e+00 -3.840008970e+00 2.32 -3.879175479e+00 -3.879175479e+00 2.34 -3.908398052e+00 -3.908398052e+00 2.36 -3.928522552e+00 -3.928522552e+00 2.38 -3.940327655e+00 -3.940327655e+00 2.40 -3.944534570e+00 -3.944534570e+00 2.42 -3.941811244e+00 -3.941811244e+00 2.44 -3.932776247e+00 -3.932776247e+00 2.46 -3.918002366e+00 -3.918002366e+00 2.48 -3.898019933e+00 -3.898019933e+00 2.50 -3.873319902e+00 -3.873319902e+00 2.52 -3.844356704e+00 -3.844356704e+00 2.54 -3.811550884e+00 -3.811550884e+00 2.56 -3.775291551e+00 -3.775291551e+00 2.58 -3.736126356e+00 -3.736126356e+00 2.60 -3.695960546e+00 -3.695960546e+00 2.62 -3.652574948e+00 -3.652574948e+00 2.64 -3.605706672e+00 -3.605706672e+00 2.66 -3.556937233e+00 -3.556937233e+00 2.68 -3.506509150e+00 -3.506509150e+00 2.70 -3.454646273e+00 -3.454646273e+00 2.72 -3.401555121e+00 -3.401555121e+00 2.74 -3.347426111e+00 -3.347426111e+00 2.76 -3.292434714e+00 -3.292434714e+00 2.78 -3.236742518e+00 -3.236742518e+00 2.80 -3.180498215e+00 -3.180498215e+00 2.82 -3.123838522e+00 -3.123838522e+00 2.84 -3.066889034e+00 -3.066889034e+00 2.86 -3.009765014e+00 -3.009765014e+00 2.88 -2.952572132e+00 -2.952572132e+00 2.90 -2.895407146e+00 -2.895407146e+00 2.92 -2.838358538e+00 -2.838358538e+00 2.94 -2.781507105e+00 -2.781507105e+00 2.96 -2.724926508e+00 -2.724926508e+00 2.98 -2.668683783e+00 -2.668683783e+00 3.00 -2.612839813e+00 -2.612839813e+00 3.02 -2.557449771e+00 -2.557449771e+00 3.04 -2.502563533e+00 -2.502563533e+00 3.06 -2.448226054e+00 -2.448226054e+00 3.08 -2.394477729e+00 -2.394477729e+00 3.10 -2.341354720e+00 -2.341354720e+00 3.12 -2.288889266e+00 -2.288889266e+00 3.14 -2.237109967e+00 -2.237109967e+00 3.16 -2.186042053e+00 -2.186042053e+00 3.18 -2.135707630e+00 -2.135707630e+00 3.20 -2.086125916e+00 -2.086125916e+00 3.22 -2.037313446e+00 -2.037313446e+00 3.24 -1.989284285e+00 -1.989284285e+00 3.26 -1.942050206e+00 -1.942050206e+00 3.28 -1.895620864e+00 -1.895620864e+00 3.30 -1.850003965e+00 -1.850003965e+00 3.32 -1.805205409e+00 -1.805205409e+00 3.34 -1.761229433e+00 -1.761229433e+00 3.36 -1.718078745e+00 -1.718078745e+00 3.38 -1.675754641e+00 -1.675754641e+00 3.40 -1.634257123e+00 -1.634257123e+00 3.42 -1.593585001e+00 -1.593585001e+00 3.44 -1.553735993e+00 -1.553735993e+00 3.46 -1.514706819e+00 -1.514706819e+00 3.48 -1.476493283e+00 -1.476493283e+00 3.50 -1.439090353e+00 -1.439090353e+00 3.52 -1.402492239e+00 -1.402492239e+00 3.54 -1.366692458e+00 -1.366692458e+00 3.56 -1.331683896e+00 -1.331683896e+00 3.58 -1.297458876e+00 -1.297458876e+00 3.60 -1.264009205e+00 -1.264009205e+00 3.62 -1.231326231e+00 -1.231326231e+00 3.64 -1.199400887e+00 -1.199400887e+00 3.66 -1.168223739e+00 -1.168223739e+00 3.68 -1.137785026e+00 -1.137785026e+00 3.70 -1.108074697e+00 -1.108074697e+00 3.72 -1.079082451e+00 -1.079082451e+00 3.74 -1.050797763e+00 -1.050797763e+00 3.76 -1.023209920e+00 -1.023209920e+00 3.78 -9.963080481e-01 -9.963080481e-01 3.80 -9.700811371e-01 -9.700811371e-01 3.82 -9.445180654e-01 -9.445180654e-01 3.84 -9.196076223e-01 -9.196076223e-01 3.86 -8.953385275e-01 -8.953385275e-01 3.88 -8.716994505e-01 -8.716994505e-01 3.90 -8.486790269e-01 -8.486790269e-01 3.92 -8.262658744e-01 -8.262658744e-01 3.94 -8.044486063e-01 -8.044486063e-01 3.96 -7.832158449e-01 -7.832158449e-01 3.98 -7.625562319e-01 -7.625562319e-01 4.00 -7.424584397e-01 -7.424584397e-01 4.02 -7.229111795e-01 -7.229111795e-01 4.04 -7.039032098e-01 -7.039032098e-01 4.06 -6.854233431e-01 -6.854233431e-01 4.08 -6.674604514e-01 -6.674604514e-01 4.10 -6.500034717e-01 -6.500034717e-01 4.12 -6.330414098e-01 -6.330414098e-01 4.14 -6.165633428e-01 -6.165633428e-01 4.16 -6.005584224e-01 -6.005584224e-01 4.18 -5.850158753e-01 -5.850158753e-01 4.20 -5.699250045e-01 -5.699250045e-01 4.22 -5.552751891e-01 -5.552751891e-01 4.24 -5.410558834e-01 -5.410558834e-01 4.26 -5.272384545e-01 -5.272384545e-01 4.28 -5.134908638e-01 -5.134908638e-01 4.30 -4.991818604e-01 -4.991818604e-01 4.32 -4.848361219e-01 -4.848361219e-01 4.34 -4.728460461e-01 -4.728460461e-01 4.36 -4.617165437e-01 -4.617165437e-01 4.38 -4.508975416e-01 -4.508975416e-01 4.40 -4.403779235e-01 -4.403779235e-01 4.42 -4.301466066e-01 -4.301466066e-01 4.44 -4.201925549e-01 -4.201925549e-01 4.46 -4.105047944e-01 -4.105047944e-01 4.48 -4.010724311e-01 -4.010724311e-01 4.50 -3.918846733e-01 -3.918846733e-01 4.52 -3.829308563e-01 -3.829308563e-01 4.54 -3.742004705e-01 -3.742004705e-01 4.56 -3.656831932e-01 -3.656831932e-01 4.58 -3.573689231e-01 -3.573689231e-01 4.60 -3.492478175e-01 -3.492478175e-01 4.62 -3.413103321e-01 -3.413103321e-01 4.64 -3.335472618e-01 -3.335472618e-01 4.66 -3.259497831e-01 -3.259497831e-01 4.68 -3.185094962e-01 -3.185094962e-01 4.70 -3.112184656e-01 -3.112184656e-01 4.72 -3.040692593e-01 -3.040692593e-01 4.74 -2.970549842e-01 -2.970549842e-01 4.76 -2.901693172e-01 -2.901693172e-01 4.78 -2.834065301e-01 -2.834065301e-01 4.80 -2.767615082e-01 -2.767615082e-01 4.82 -2.702297610e-01 -2.702297610e-01 4.84 -2.638074236e-01 -2.638074236e-01 4.86 -2.574912502e-01 -2.574912502e-01 4.88 -2.512785971e-01 -2.512785971e-01 4.90 -2.451673970e-01 -2.451673970e-01 4.92 -2.386885578e-01 -2.386885578e-01 4.94 -2.259179069e-01 -2.259179069e-01 4.96 -1.908582255e-01 -1.908582255e-01 4.98 -1.088368620e-01 -1.088368620e-01 5.00 -7.766237171e-23 -7.763976896e-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