# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Fe # implementation = 2025--Sharifi-H--Cr-Ni-Fe--LAMMPS--ipr1 # composition = CrFe2Ni # 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 3.708330312e+02 3.708330312e+02 1.00 3.398026756e+02 3.398026756e+02 1.02 3.120204298e+02 3.120204298e+02 1.04 2.869336980e+02 2.869336980e+02 1.06 2.641117382e+02 2.641117382e+02 1.08 2.432194771e+02 2.432194771e+02 1.10 2.239962873e+02 2.239962873e+02 1.12 2.062389594e+02 2.062389594e+02 1.14 1.897881515e+02 1.897881515e+02 1.16 1.745176929e+02 1.745176929e+02 1.18 1.603262378e+02 1.603262378e+02 1.20 1.471308120e+02 1.471308120e+02 1.22 1.348618882e+02 1.348618882e+02 1.24 1.234596767e+02 1.234596767e+02 1.26 1.128713736e+02 1.128713736e+02 1.28 1.030491610e+02 1.030491610e+02 1.30 9.394878748e+01 9.394878748e+01 1.32 8.552858841e+01 8.552858841e+01 1.34 7.774882120e+01 7.774882120e+01 1.36 7.057122615e+01 7.057122615e+01 1.38 6.395880327e+01 6.395880327e+01 1.40 5.787571961e+01 5.787571961e+01 1.42 5.228729466e+01 5.228729466e+01 1.44 4.716003703e+01 4.716003703e+01 1.46 4.246170430e+01 4.246170430e+01 1.48 3.816137212e+01 3.816137212e+01 1.50 3.422950154e+01 3.422950154e+01 1.52 3.063799776e+01 3.063799776e+01 1.54 2.736025572e+01 2.736025572e+01 1.56 2.437118855e+01 2.437118855e+01 1.58 2.164724070e+01 2.164724070e+01 1.60 1.916638506e+01 1.916638506e+01 1.62 1.690810660e+01 1.690810660e+01 1.64 1.485337115e+01 1.485337115e+01 1.66 1.298458119e+01 1.298458119e+01 1.68 1.128552412e+01 1.128552412e+01 1.70 9.741312801e+00 9.741312801e+00 1.72 8.338315242e+00 8.338315242e+00 1.74 7.064041308e+00 7.064041308e+00 1.76 5.907042935e+00 5.907042935e+00 1.78 4.856853866e+00 4.856853866e+00 1.80 3.903929247e+00 3.903929247e+00 1.82 3.039588691e+00 3.039588691e+00 1.84 2.255956779e+00 2.255956779e+00 1.86 1.545902592e+00 1.545902592e+00 1.88 9.029805233e-01 9.029805233e-01 1.90 3.213758677e-01 3.213758677e-01 1.92 -2.041706561e-01 -2.041706561e-01 1.94 -6.784546918e-01 -6.784546918e-01 1.96 -1.105839287e+00 -1.105839287e+00 1.98 -1.490319563e+00 -1.490319563e+00 2.00 -1.835556476e+00 -1.835556476e+00 2.02 -2.144904766e+00 -2.144904766e+00 2.04 -2.421438601e+00 -2.421438601e+00 2.06 -2.667975021e+00 -2.667975021e+00 2.08 -2.887095399e+00 -2.887095399e+00 2.10 -3.081165141e+00 -3.081165141e+00 2.12 -3.252351688e+00 -3.252351688e+00 2.14 -3.402640716e+00 -3.402640716e+00 2.16 -3.533850205e+00 -3.533850205e+00 2.18 -3.647645631e+00 -3.647645631e+00 2.20 -3.745553138e+00 -3.745553138e+00 2.22 -3.828971132e+00 -3.828971132e+00 2.24 -3.899180886e+00 -3.899180886e+00 2.26 -3.957356296e+00 -3.957356296e+00 2.28 -4.004572803e+00 -4.004572803e+00 2.30 -4.041815579e+00 -4.041815579e+00 2.32 -4.069987045e+00 -4.069987045e+00 2.34 -4.089913754e+00 -4.089913754e+00 2.36 -4.102352701e+00 -4.102352701e+00 2.38 -4.107997125e+00 -4.107997125e+00 2.40 -4.107481814e+00 -4.107481814e+00 2.42 -4.101389738e+00 -4.101389738e+00 2.44 -4.090259679e+00 -4.090259679e+00 2.46 -4.074585068e+00 -4.074585068e+00 2.48 -4.054816734e+00 -4.054816734e+00 2.50 -4.031366526e+00 -4.031366526e+00 2.52 -4.004610622e+00 -4.004610622e+00 2.54 -3.974892572e+00 -3.974892572e+00 2.56 -3.942526074e+00 -3.942526074e+00 2.58 -3.907797526e+00 -3.907797526e+00 2.60 -3.870968356e+00 -3.870968356e+00 2.62 -3.832277155e+00 -3.832277155e+00 2.64 -3.791941640e+00 -3.791941640e+00 2.66 -3.750160435e+00 -3.750160435e+00 2.68 -3.707114717e+00 -3.707114717e+00 2.70 -3.662969713e+00 -3.662969713e+00 2.72 -3.617876068e+00 -3.617876068e+00 2.74 -3.571971109e+00 -3.571971109e+00 2.76 -3.525379988e+00 -3.525379988e+00 2.78 -3.478216731e+00 -3.478216731e+00 2.80 -3.430585205e+00 -3.430585205e+00 2.82 -3.382579993e+00 -3.382579993e+00 2.84 -3.334287197e+00 -3.334287197e+00 2.86 -3.285785172e+00 -3.285785172e+00 2.88 -3.237145202e+00 -3.237145202e+00 2.90 -3.188432107e+00 -3.188432107e+00 2.92 -3.139704806e+00 -3.139704806e+00 2.94 -3.091016830e+00 -3.091016830e+00 2.96 -3.042416788e+00 -3.042416788e+00 2.98 -2.993948796e+00 -2.993948796e+00 3.00 -2.945652863e+00 -2.945652863e+00 3.02 -2.897565251e+00 -2.897565251e+00 3.04 -2.849718797e+00 -2.849718797e+00 3.06 -2.802143212e+00 -2.802143212e+00 3.08 -2.754865349e+00 -2.754865349e+00 3.10 -2.707909451e+00 -2.707909451e+00 3.12 -2.661297376e+00 -2.661297376e+00 3.14 -2.615048802e+00 -2.615048802e+00 3.16 -2.569181416e+00 -2.569181416e+00 3.18 -2.523711082e+00 -2.523711082e+00 3.20 -2.478651998e+00 -2.478651998e+00 3.22 -2.434016841e+00 -2.434016841e+00 3.24 -2.389816891e+00 -2.389816891e+00 3.26 -2.346062154e+00 -2.346062154e+00 3.28 -2.302761467e+00 -2.302761467e+00 3.30 -2.259922597e+00 -2.259922597e+00 3.32 -2.217552332e+00 -2.217552332e+00 3.34 -2.175656562e+00 -2.175656562e+00 3.36 -2.134240352e+00 -2.134240352e+00 3.38 -2.093308012e+00 -2.093308012e+00 3.40 -2.052863161e+00 -2.052863161e+00 3.42 -2.012908781e+00 -2.012908781e+00 3.44 -1.973447269e+00 -1.973447269e+00 3.46 -1.934480488e+00 -1.934480488e+00 3.48 -1.896009807e+00 -1.896009807e+00 3.50 -1.858036142e+00 -1.858036142e+00 3.52 -1.820559995e+00 -1.820559995e+00 3.54 -1.783581485e+00 -1.783581485e+00 3.56 -1.747100379e+00 -1.747100379e+00 3.58 -1.711116122e+00 -1.711116122e+00 3.60 -1.675627861e+00 -1.675627861e+00 3.62 -1.640634471e+00 -1.640634471e+00 3.64 -1.606134579e+00 -1.606134579e+00 3.66 -1.572126578e+00 -1.572126578e+00 3.68 -1.538608654e+00 -1.538608654e+00 3.70 -1.505578797e+00 -1.505578797e+00 3.72 -1.473034823e+00 -1.473034823e+00 3.74 -1.440974384e+00 -1.440974384e+00 3.76 -1.409394987e+00 -1.409394987e+00 3.78 -1.378294002e+00 -1.378294002e+00 3.80 -1.347668678e+00 -1.347668678e+00 3.82 -1.317516153e+00 -1.317516153e+00 3.84 -1.287833465e+00 -1.287833465e+00 3.86 -1.258617562e+00 -1.258617562e+00 3.88 -1.229865309e+00 -1.229865309e+00 3.90 -1.201573501e+00 -1.201573501e+00 3.92 -1.173738864e+00 -1.173738864e+00 3.94 -1.146358070e+00 -1.146358070e+00 3.96 -1.119427740e+00 -1.119427740e+00 3.98 -1.092944448e+00 -1.092944448e+00 4.00 -1.066904731e+00 -1.066904731e+00 4.02 -1.041305094e+00 -1.041305094e+00 4.04 -1.016142009e+00 -1.016142009e+00 4.06 -9.914119288e-01 -9.914119288e-01 4.08 -9.671112814e-01 -9.671112814e-01 4.10 -9.432364798e-01 -9.432364798e-01 4.12 -9.197839224e-01 -9.197839224e-01 4.14 -8.967499958e-01 -8.967499958e-01 4.16 -8.741310774e-01 -8.741310774e-01 4.18 -8.519235368e-01 -8.519235368e-01 4.20 -8.301237371e-01 -8.301237371e-01 4.22 -8.087280362e-01 -8.087280362e-01 4.24 -7.877327867e-01 -7.877327867e-01 4.26 -7.668667978e-01 -7.668667978e-01 4.28 -7.403183123e-01 -7.403183123e-01 4.30 -6.858458375e-01 -6.858458375e-01 4.32 -6.432155458e-01 -6.432155458e-01 4.34 -6.386223207e-01 -6.386223207e-01 4.36 -6.242519902e-01 -6.242519902e-01 4.38 -6.101472884e-01 -6.101472884e-01 4.40 -5.963051749e-01 -5.963051749e-01 4.42 -5.827225819e-01 -5.827225819e-01 4.44 -5.693964164e-01 -5.693964164e-01 4.46 -5.563235624e-01 -5.563235624e-01 4.48 -5.435008834e-01 -5.435008834e-01 4.50 -5.309252246e-01 -5.309252246e-01 4.52 -5.185934153e-01 -5.185934153e-01 4.54 -5.065022710e-01 -5.065022710e-01 4.56 -4.946485958e-01 -4.946485958e-01 4.58 -4.830291845e-01 -4.830291845e-01 4.60 -4.716408243e-01 -4.716408243e-01 4.62 -4.604802977e-01 -4.604802977e-01 4.64 -4.495443839e-01 -4.495443839e-01 4.66 -4.388298609e-01 -4.388298609e-01 4.68 -4.283335074e-01 -4.283335074e-01 4.70 -4.180521051e-01 -4.180521051e-01 4.72 -4.079824397e-01 -4.079824397e-01 4.74 -3.981213035e-01 -3.981213035e-01 4.76 -3.884654966e-01 -3.884654966e-01 4.78 -3.790118285e-01 -3.790118285e-01 4.80 -3.697571201e-01 -3.697571201e-01 4.82 -3.606982048e-01 -3.606982048e-01 4.84 -3.518319304e-01 -3.518319304e-01 4.86 -3.431551600e-01 -3.431551600e-01 4.88 -3.346647738e-01 -3.346647738e-01 4.90 -3.263576702e-01 -3.263576702e-01 4.92 -3.176620857e-01 -3.176620857e-01 4.94 -3.014158671e-01 -3.014158671e-01 4.96 -2.578484915e-01 -2.578484915e-01 4.98 -1.521097071e-01 -1.521097071e-01 5.00 -1.766141246e-22 -1.768617137e-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