# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--LAMMPS--ipr1 # composition = AlCoNi2 # 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 2022-05-24 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 3.289313203e+02 3.289313203e+02 0.94 3.075072257e+02 3.075072257e+02 0.96 2.873794740e+02 2.873794740e+02 0.98 2.684727942e+02 2.684727942e+02 1.00 2.507161632e+02 2.507161632e+02 1.02 2.340425710e+02 2.340425710e+02 1.04 2.183887990e+02 2.183887990e+02 1.06 2.036952104e+02 2.036952104e+02 1.08 1.899055517e+02 1.899055517e+02 1.10 1.769667654e+02 1.769667654e+02 1.12 1.648288123e+02 1.648288123e+02 1.14 1.534445042e+02 1.534445042e+02 1.16 1.427693451e+02 1.427693451e+02 1.18 1.327613812e+02 1.327613812e+02 1.20 1.233810595e+02 1.233810595e+02 1.22 1.145910936e+02 1.145910936e+02 1.24 1.063563372e+02 1.063563372e+02 1.26 9.864366414e+01 9.864366414e+01 1.28 9.142185554e+01 9.142185554e+01 1.30 8.466149272e+01 8.466149272e+01 1.32 7.833485610e+01 7.833485610e+01 1.34 7.241582972e+01 7.241582972e+01 1.36 6.687981103e+01 6.687981103e+01 1.38 6.170362549e+01 6.170362549e+01 1.40 5.686544607e+01 5.686544607e+01 1.42 5.234471706e+01 5.234471706e+01 1.44 4.812208218e+01 4.812208218e+01 1.46 4.417931657e+01 4.417931657e+01 1.48 4.049926262e+01 4.049926262e+01 1.50 3.706576936e+01 3.706576936e+01 1.52 3.386363513e+01 3.386363513e+01 1.54 3.087855355e+01 3.087855355e+01 1.56 2.809706239e+01 2.809706239e+01 1.58 2.550649536e+01 2.550649536e+01 1.60 2.309493653e+01 2.309493653e+01 1.62 2.085117738e+01 2.085117738e+01 1.64 1.876467612e+01 1.876467612e+01 1.66 1.682551941e+01 1.682551941e+01 1.68 1.502438615e+01 1.502438615e+01 1.70 1.335251335e+01 1.335251335e+01 1.72 1.180166384e+01 1.180166384e+01 1.74 1.036409589e+01 1.036409589e+01 1.76 9.032534489e+00 9.032534489e+00 1.78 7.800144223e+00 7.800144223e+00 1.80 6.660503734e+00 6.660503734e+00 1.82 5.607581592e+00 5.607581592e+00 1.84 4.635713538e+00 4.635713538e+00 1.86 3.739581017e+00 3.739581017e+00 1.88 2.914190933e+00 2.914190933e+00 1.90 2.154856551e+00 2.154856551e+00 1.92 1.457179482e+00 1.457179482e+00 1.94 8.170327061e-01 8.170327061e-01 1.96 2.305445547e-01 2.305445547e-01 1.98 -3.059163890e-01 -3.059163890e-01 2.00 -7.957555229e-01 -7.957555229e-01 2.02 -1.242165644e+00 -1.242165644e+00 2.04 -1.648139598e+00 -1.648139598e+00 2.06 -2.016482197e+00 -2.016482197e+00 2.08 -2.349821455e+00 -2.349821455e+00 2.10 -2.650619171e+00 -2.650619171e+00 2.12 -2.921180904e+00 -2.921180904e+00 2.14 -3.163665368e+00 -3.163665368e+00 2.16 -3.380093285e+00 -3.380093285e+00 2.18 -3.572355718e+00 -3.572355718e+00 2.20 -3.742221928e+00 -3.742221928e+00 2.22 -3.891346762e+00 -3.891346762e+00 2.24 -4.021277621e+00 -4.021277621e+00 2.26 -4.133461012e+00 -4.133461012e+00 2.28 -4.229248718e+00 -4.229248718e+00 2.30 -4.309903609e+00 -4.309903609e+00 2.32 -4.376605106e+00 -4.376605106e+00 2.34 -4.430454329e+00 -4.430454329e+00 2.36 -4.472478934e+00 -4.472478934e+00 2.38 -4.503637669e+00 -4.503637669e+00 2.40 -4.524824659e+00 -4.524824659e+00 2.42 -4.536873433e+00 -4.536873433e+00 2.44 -4.540560718e+00 -4.540560718e+00 2.46 -4.536609999e+00 -4.536609999e+00 2.48 -4.525694870e+00 -4.525694870e+00 2.50 -4.508442186e+00 -4.508442186e+00 2.52 -4.485435023e+00 -4.485435023e+00 2.54 -4.457215459e+00 -4.457215459e+00 2.56 -4.424287191e+00 -4.424287191e+00 2.58 -4.387117989e+00 -4.387117989e+00 2.60 -4.346142006e+00 -4.346142006e+00 2.62 -4.301761945e+00 -4.301761945e+00 2.64 -4.254351095e+00 -4.254351095e+00 2.66 -4.204255240e+00 -4.204255240e+00 2.68 -4.151794457e+00 -4.151794457e+00 2.70 -4.097264797e+00 -4.097264797e+00 2.72 -4.040939869e+00 -4.040939869e+00 2.74 -3.983072319e+00 -3.983072319e+00 2.76 -3.923895224e+00 -3.923895224e+00 2.78 -3.863623395e+00 -3.863623395e+00 2.80 -3.802454606e+00 -3.802454606e+00 2.82 -3.740570738e+00 -3.740570738e+00 2.84 -3.678138853e+00 -3.678138853e+00 2.86 -3.615312207e+00 -3.615312207e+00 2.88 -3.552231191e+00 -3.552231191e+00 2.90 -3.489024216e+00 -3.489024216e+00 2.92 -3.425808546e+00 -3.425808546e+00 2.94 -3.362691071e+00 -3.362691071e+00 2.96 -3.299769035e+00 -3.299769035e+00 2.98 -3.237130717e+00 -3.237130717e+00 3.00 -3.174856066e+00 -3.174856066e+00 3.02 -3.113017299e+00 -3.113017299e+00 3.04 -3.051679455e+00 -3.051679455e+00 3.06 -2.990900922e+00 -2.990900922e+00 3.08 -2.930733916e+00 -2.930733916e+00 3.10 -2.871224942e+00 -2.871224942e+00 3.12 -2.812415219e+00 -2.812415219e+00 3.14 -2.754341072e+00 -2.754341072e+00 3.16 -2.697034311e+00 -2.697034311e+00 3.18 -2.640522571e+00 -2.640522571e+00 3.20 -2.584829635e+00 -2.584829635e+00 3.22 -2.529975741e+00 -2.529975741e+00 3.24 -2.475977858e+00 -2.475977858e+00 3.26 -2.422849948e+00 -2.422849948e+00 3.28 -2.370603214e+00 -2.370603214e+00 3.30 -2.319246323e+00 -2.319246323e+00 3.32 -2.268785620e+00 -2.268785620e+00 3.34 -2.219225325e+00 -2.219225325e+00 3.36 -2.170567717e+00 -2.170567717e+00 3.38 -2.122813301e+00 -2.122813301e+00 3.40 -2.075960972e+00 -2.075960972e+00 3.42 -2.030008155e+00 -2.030008155e+00 3.44 -1.984950949e+00 -1.984950949e+00 3.46 -1.940784250e+00 -1.940784250e+00 3.48 -1.897501868e+00 -1.897501868e+00 3.50 -1.855096637e+00 -1.855096637e+00 3.52 -1.813560517e+00 -1.813560517e+00 3.54 -1.772884686e+00 -1.772884686e+00 3.56 -1.733059627e+00 -1.733059627e+00 3.58 -1.694075210e+00 -1.694075210e+00 3.60 -1.655920759e+00 -1.655920759e+00 3.62 -1.618585130e+00 -1.618585130e+00 3.64 -1.582056767e+00 -1.582056767e+00 3.66 -1.546323760e+00 -1.546323760e+00 3.68 -1.511373903e+00 -1.511373903e+00 3.70 -1.477194738e+00 -1.477194738e+00 3.72 -1.443773601e+00 -1.443773601e+00 3.74 -1.411097669e+00 -1.411097669e+00 3.76 -1.379153987e+00 -1.379153987e+00 3.78 -1.347929513e+00 -1.347929513e+00 3.80 -1.317411143e+00 -1.317411143e+00 3.82 -1.287596766e+00 -1.287596766e+00 3.84 -1.259467970e+00 -1.259467970e+00 3.86 -1.237216794e+00 -1.237216794e+00 3.88 -1.220525251e+00 -1.220525251e+00 3.90 -1.197013525e+00 -1.197013525e+00 3.92 -1.171659891e+00 -1.171659891e+00 3.94 -1.146862616e+00 -1.146862616e+00 3.96 -1.122610553e+00 -1.122610553e+00 3.98 -1.098892656e+00 -1.098892656e+00 4.00 -1.075697985e+00 -1.075697985e+00 4.02 -1.053015719e+00 -1.053015719e+00 4.04 -1.030835164e+00 -1.030835164e+00 4.06 -1.009145756e+00 -1.009145756e+00 4.08 -9.879370727e-01 -9.879370727e-01 4.10 -9.671988347e-01 -9.671988347e-01 4.12 -9.469209122e-01 -9.469209122e-01 4.14 -9.270933284e-01 -9.270933284e-01 4.16 -9.077062627e-01 -9.077062627e-01 4.18 -8.887500533e-01 -8.887500533e-01 4.20 -8.702151997e-01 -8.702151997e-01 4.22 -8.520923641e-01 -8.520923641e-01 4.24 -8.343723727e-01 -8.343723727e-01 4.26 -8.170462165e-01 -8.170462165e-01 4.28 -8.001050519e-01 -8.001050519e-01 4.30 -7.835402006e-01 -7.835402006e-01 4.32 -7.673431493e-01 -7.673431493e-01 4.34 -7.515055496e-01 -7.515055496e-01 4.36 -7.360192171e-01 -7.360192171e-01 4.38 -7.208761302e-01 -7.208761302e-01 4.40 -7.060684293e-01 -7.060684293e-01 4.42 -6.906507316e-01 -6.906507316e-01 4.44 -6.624416712e-01 -6.624416712e-01 4.46 -5.833064920e-01 -5.833064920e-01 4.48 -3.645216653e-01 -3.645216653e-01 4.50 -5.464684924e-22 -5.462894190e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 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