# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CoFe2Ni # 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 4.711979358e+02 4.711979358e+02 0.94 4.395681310e+02 4.395681310e+02 0.96 4.099398245e+02 4.099398245e+02 0.98 3.821899538e+02 3.821899538e+02 1.00 3.562029726e+02 3.562029726e+02 1.02 3.318703845e+02 3.318703845e+02 1.04 3.090903070e+02 3.090903070e+02 1.06 2.877670623e+02 2.877670623e+02 1.08 2.678107941e+02 2.678107941e+02 1.10 2.491371092e+02 2.491371092e+02 1.12 2.316667416e+02 2.316667416e+02 1.14 2.153252380e+02 2.153252380e+02 1.16 2.000426635e+02 2.000426635e+02 1.18 1.857533260e+02 1.857533260e+02 1.20 1.723955176e+02 1.723955176e+02 1.22 1.599112732e+02 1.599112732e+02 1.24 1.482461433e+02 1.482461433e+02 1.26 1.373489820e+02 1.373489820e+02 1.28 1.271717471e+02 1.271717471e+02 1.30 1.176693137e+02 1.176693137e+02 1.32 1.087992987e+02 1.087992987e+02 1.34 1.005218959e+02 1.005218959e+02 1.36 9.279972220e+01 9.279972220e+01 1.38 8.559767165e+01 8.559767165e+01 1.40 7.888277974e+01 7.888277974e+01 1.42 7.262409506e+01 7.262409506e+01 1.44 6.679255904e+01 6.679255904e+01 1.46 6.136089273e+01 6.136089273e+01 1.48 5.630349048e+01 5.630349048e+01 1.50 5.159631985e+01 5.159631985e+01 1.52 4.721682758e+01 4.721682758e+01 1.54 4.314385101e+01 4.314385101e+01 1.56 3.935753488e+01 3.935753488e+01 1.58 3.583925294e+01 3.583925294e+01 1.60 3.257153427e+01 3.257153427e+01 1.62 2.953799388e+01 2.953799388e+01 1.64 2.672326746e+01 2.672326746e+01 1.66 2.411294993e+01 2.411294993e+01 1.68 2.169353761e+01 2.169353761e+01 1.70 1.945237386e+01 1.945237386e+01 1.72 1.737759781e+01 1.737759781e+01 1.74 1.545809620e+01 1.545809620e+01 1.76 1.368345805e+01 1.368345805e+01 1.78 1.204393195e+01 1.204393195e+01 1.80 1.053038590e+01 1.053038590e+01 1.82 9.134269553e+00 9.134269553e+00 1.84 7.847578659e+00 7.847578659e+00 1.86 6.662821599e+00 6.662821599e+00 1.88 5.572987937e+00 5.572987937e+00 1.90 4.571518826e+00 4.571518826e+00 1.92 3.652279163e+00 3.652279163e+00 1.94 2.809531416e+00 2.809531416e+00 1.96 2.037911009e+00 2.037911009e+00 1.98 1.332403168e+00 1.332403168e+00 2.00 6.883211637e-01 6.883211637e-01 2.02 1.012858565e-01 1.012858565e-01 2.04 -4.327935365e-01 -4.327935365e-01 2.06 -9.177375095e-01 -9.177375095e-01 2.08 -1.357113249e+00 -1.357113249e+00 2.10 -1.754250591e+00 -1.754250591e+00 2.12 -2.112257008e+00 -2.112257008e+00 2.14 -2.434031691e+00 -2.434031691e+00 2.16 -2.722278770e+00 -2.722278770e+00 2.18 -2.979519735e+00 -2.979519735e+00 2.20 -3.208105091e+00 -3.208105091e+00 2.22 -3.410225310e+00 -3.410225310e+00 2.24 -3.587921097e+00 -3.587921097e+00 2.26 -3.743093039e+00 -3.743093039e+00 2.28 -3.877510649e+00 -3.877510649e+00 2.30 -3.992820856e+00 -3.992820856e+00 2.32 -4.090555969e+00 -4.090555969e+00 2.34 -4.172141145e+00 -4.172141145e+00 2.36 -4.238901390e+00 -4.238901390e+00 2.38 -4.292068131e+00 -4.292068131e+00 2.40 -4.332785369e+00 -4.332785369e+00 2.42 -4.362115450e+00 -4.362115450e+00 2.44 -4.381044470e+00 -4.381044470e+00 2.46 -4.390487343e+00 -4.390487343e+00 2.48 -4.391292550e+00 -4.391292550e+00 2.50 -4.384246578e+00 -4.384246578e+00 2.52 -4.370078089e+00 -4.370078089e+00 2.54 -4.349461812e+00 -4.349461812e+00 2.56 -4.323022198e+00 -4.323022198e+00 2.58 -4.291336826e+00 -4.291336826e+00 2.60 -4.254939608e+00 -4.254939608e+00 2.62 -4.214323771e+00 -4.214323771e+00 2.64 -4.169944656e+00 -4.169944656e+00 2.66 -4.122222332e+00 -4.122222332e+00 2.68 -4.071544042e+00 -4.071544042e+00 2.70 -4.018267212e+00 -4.018267212e+00 2.72 -3.963026667e+00 -3.963026667e+00 2.74 -3.907796960e+00 -3.907796960e+00 2.76 -3.850839733e+00 -3.850839733e+00 2.78 -3.790046100e+00 -3.790046100e+00 2.80 -3.728052508e+00 -3.728052508e+00 2.82 -3.665072552e+00 -3.665072552e+00 2.84 -3.601301586e+00 -3.601301586e+00 2.86 -3.536918047e+00 -3.536918047e+00 2.88 -3.472084688e+00 -3.472084688e+00 2.90 -3.406949724e+00 -3.406949724e+00 2.92 -3.341647905e+00 -3.341647905e+00 2.94 -3.276301516e+00 -3.276301516e+00 2.96 -3.211021307e+00 -3.211021307e+00 2.98 -3.145907362e+00 -3.145907362e+00 3.00 -3.081049904e+00 -3.081049904e+00 3.02 -3.016530050e+00 -3.016530050e+00 3.04 -2.952420509e+00 -2.952420509e+00 3.06 -2.888786238e+00 -2.888786238e+00 3.08 -2.825685045e+00 -2.825685045e+00 3.10 -2.763168153e+00 -2.763168153e+00 3.12 -2.701280730e+00 -2.701280730e+00 3.14 -2.640062371e+00 -2.640062371e+00 3.16 -2.579547553e+00 -2.579547553e+00 3.18 -2.519766061e+00 -2.519766061e+00 3.20 -2.460743374e+00 -2.460743374e+00 3.22 -2.402501033e+00 -2.402501033e+00 3.24 -2.345056974e+00 -2.345056974e+00 3.26 -2.288425851e+00 -2.288425851e+00 3.28 -2.232619316e+00 -2.232619316e+00 3.30 -2.177646299e+00 -2.177646299e+00 3.32 -2.123513256e+00 -2.123513256e+00 3.34 -2.070224399e+00 -2.070224399e+00 3.36 -2.017781917e+00 -2.017781917e+00 3.38 -1.966186175e+00 -1.966186175e+00 3.40 -1.915435902e+00 -1.915435902e+00 3.42 -1.865528362e+00 -1.865528362e+00 3.44 -1.816459516e+00 -1.816459516e+00 3.46 -1.768224173e+00 -1.768224173e+00 3.48 -1.720816128e+00 -1.720816128e+00 3.50 -1.674228288e+00 -1.674228288e+00 3.52 -1.628452798e+00 -1.628452798e+00 3.54 -1.583481149e+00 -1.583481149e+00 3.56 -1.539304282e+00 -1.539304282e+00 3.58 -1.495912688e+00 -1.495912688e+00 3.60 -1.453296493e+00 -1.453296493e+00 3.62 -1.411445549e+00 -1.411445549e+00 3.64 -1.370349505e+00 -1.370349505e+00 3.66 -1.329997887e+00 -1.329997887e+00 3.68 -1.290380161e+00 -1.290380161e+00 3.70 -1.251485799e+00 -1.251485799e+00 3.72 -1.213304337e+00 -1.213304337e+00 3.74 -1.175825430e+00 -1.175825430e+00 3.76 -1.139038902e+00 -1.139038902e+00 3.78 -1.102934794e+00 -1.102934794e+00 3.80 -1.067503404e+00 -1.067503404e+00 3.82 -1.032692412e+00 -1.032692412e+00 3.84 -9.947107858e-01 -9.947107858e-01 3.86 -9.352749954e-01 -9.352749954e-01 3.88 -8.285162173e-01 -8.285162173e-01 3.90 -7.344295750e-01 -7.344295750e-01 3.92 -7.065865193e-01 -7.065865193e-01 3.94 -6.793162297e-01 -6.793162297e-01 3.96 -6.526149645e-01 -6.526149645e-01 3.98 -6.264792519e-01 -6.264792519e-01 4.00 -6.009058673e-01 -6.009058673e-01 4.02 -5.758918051e-01 -5.758918051e-01 4.04 -5.514342480e-01 -5.514342480e-01 4.06 -5.275305305e-01 -5.275305305e-01 4.08 -5.041781008e-01 -5.041781008e-01 4.10 -4.813744785e-01 -4.813744785e-01 4.12 -4.591172105e-01 -4.591172105e-01 4.14 -4.374038243e-01 -4.374038243e-01 4.16 -4.162317807e-01 -4.162317807e-01 4.18 -3.955984257e-01 -3.955984257e-01 4.20 -3.755009423e-01 -3.755009423e-01 4.22 -3.559363035e-01 -3.559363035e-01 4.24 -3.369012266e-01 -3.369012266e-01 4.26 -3.183921298e-01 -3.183921298e-01 4.28 -3.004050927e-01 -3.004050927e-01 4.30 -2.829358195e-01 -2.829358195e-01 4.32 -2.659796075e-01 -2.659796075e-01 4.34 -2.495313199e-01 -2.495313199e-01 4.36 -2.335853652e-01 -2.335853652e-01 4.38 -2.181356813e-01 -2.181356813e-01 4.40 -2.031757268e-01 -2.031757268e-01 4.42 -1.882992261e-01 -1.882992261e-01 4.44 -1.688775447e-01 -1.688775447e-01 4.46 -1.343967055e-01 -1.343967055e-01 4.48 -7.217858805e-02 -7.217858805e-02 4.50 -2.233883432e-22 -2.234833554e-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 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