# 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 = CoFe2Mn # 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 4.197949412e+02 4.197949412e+02 0.94 3.913560940e+02 3.913560940e+02 0.96 3.647643739e+02 3.647643739e+02 0.98 3.399046156e+02 3.399046156e+02 1.00 3.166681021e+02 3.166681021e+02 1.02 2.949522619e+02 2.949522619e+02 1.04 2.746603872e+02 2.746603872e+02 1.06 2.557013703e+02 2.557013703e+02 1.08 2.379894534e+02 2.379894534e+02 1.10 2.214439892e+02 2.214439892e+02 1.12 2.059892087e+02 2.059892087e+02 1.14 1.915539957e+02 1.915539957e+02 1.16 1.780716645e+02 1.780716645e+02 1.18 1.654797423e+02 1.654797423e+02 1.20 1.537197534e+02 1.537197534e+02 1.22 1.427370080e+02 1.427370080e+02 1.24 1.324803929e+02 1.324803929e+02 1.26 1.229021677e+02 1.229021677e+02 1.28 1.139577650e+02 1.139577650e+02 1.30 1.056055967e+02 1.056055967e+02 1.32 9.780686633e+01 9.780686633e+01 1.34 9.052538915e+01 9.052538915e+01 1.36 8.372741927e+01 8.372741927e+01 1.38 7.738148553e+01 7.738148553e+01 1.40 7.145823569e+01 7.145823569e+01 1.42 6.593028952e+01 6.593028952e+01 1.44 6.077210057e+01 6.077210057e+01 1.46 5.595982682e+01 5.595982682e+01 1.48 5.147120988e+01 5.147120988e+01 1.50 4.728546244e+01 4.728546244e+01 1.52 4.338316385e+01 4.338316385e+01 1.54 3.974616323e+01 3.974616323e+01 1.56 3.635748984e+01 3.635748984e+01 1.58 3.320127016e+01 3.320127016e+01 1.60 3.026265136e+01 3.026265136e+01 1.62 2.752773062e+01 2.752773062e+01 1.64 2.498348989e+01 2.498348989e+01 1.66 2.261773567e+01 2.261773567e+01 1.68 2.041904343e+01 2.041904343e+01 1.70 1.837670623e+01 1.837670623e+01 1.72 1.648068730e+01 1.648068730e+01 1.74 1.472157611e+01 1.472157611e+01 1.76 1.309054773e+01 1.309054773e+01 1.78 1.157932516e+01 1.157932516e+01 1.80 1.018014438e+01 1.018014438e+01 1.82 8.885721912e+00 8.885721912e+00 1.84 7.689224624e+00 7.689224624e+00 1.86 6.584241668e+00 6.584241668e+00 1.88 5.564758303e+00 5.564758303e+00 1.90 4.625131497e+00 4.625131497e+00 1.92 3.760067134e+00 3.760067134e+00 1.94 2.964598729e+00 2.964598729e+00 1.96 2.234067511e+00 2.234067511e+00 1.98 1.564103775e+00 1.564103775e+00 2.00 9.506094186e-01 9.506094186e-01 2.02 3.897415668e-01 3.897415668e-01 2.04 -1.221027897e-01 -1.221027897e-01 2.06 -5.883012133e-01 -5.883012133e-01 2.08 -1.012019360e+00 -1.012019360e+00 2.10 -1.396223704e+00 -1.396223704e+00 2.12 -1.743693495e+00 -1.743693495e+00 2.14 -2.057032002e+00 -2.057032002e+00 2.16 -2.338677092e+00 -2.338677092e+00 2.18 -2.590911173e+00 -2.590911173e+00 2.20 -2.815870566e+00 -2.815870566e+00 2.22 -3.015554307e+00 -3.015554307e+00 2.24 -3.191832445e+00 -3.191832445e+00 2.26 -3.346453851e+00 -3.346453851e+00 2.28 -3.481053562e+00 -3.481053562e+00 2.30 -3.597159708e+00 -3.597159708e+00 2.32 -3.696200022e+00 -3.696200022e+00 2.34 -3.779507973e+00 -3.779507973e+00 2.36 -3.848328545e+00 -3.848328545e+00 2.38 -3.903823669e+00 -3.903823669e+00 2.40 -3.947077340e+00 -3.947077340e+00 2.42 -3.979100436e+00 -3.979100436e+00 2.44 -4.000835250e+00 -4.000835250e+00 2.46 -4.013159759e+00 -4.013159759e+00 2.48 -4.016891631e+00 -4.016891631e+00 2.50 -4.012792013e+00 -4.012792013e+00 2.52 -4.001569074e+00 -4.001569074e+00 2.54 -3.983881355e+00 -3.983881355e+00 2.56 -3.960340907e+00 -3.960340907e+00 2.58 -3.931516249e+00 -3.931516249e+00 2.60 -3.897935147e+00 -3.897935147e+00 2.62 -3.860087225e+00 -3.860087225e+00 2.64 -3.818426421e+00 -3.818426421e+00 2.66 -3.773373292e+00 -3.773373292e+00 2.68 -3.725317184e+00 -3.725317184e+00 2.70 -3.674619072e+00 -3.674619072e+00 2.72 -3.621953756e+00 -3.621953756e+00 2.74 -3.569491720e+00 -3.569491720e+00 2.76 -3.515266345e+00 -3.515266345e+00 2.78 -3.456910399e+00 -3.456910399e+00 2.80 -3.397342390e+00 -3.397342390e+00 2.82 -3.336783592e+00 -3.336783592e+00 2.84 -3.275437263e+00 -3.275437263e+00 2.86 -3.213489869e+00 -3.213489869e+00 2.88 -3.151112233e+00 -3.151112233e+00 2.90 -3.088460606e+00 -3.088460606e+00 2.92 -3.025677680e+00 -3.025677680e+00 2.94 -2.962893528e+00 -2.962893528e+00 2.96 -2.900226492e+00 -2.900226492e+00 2.98 -2.837784006e+00 -2.837784006e+00 3.00 -2.775663375e+00 -2.775663375e+00 3.02 -2.713952498e+00 -2.713952498e+00 3.04 -2.652730548e+00 -2.652730548e+00 3.06 -2.592068607e+00 -2.592068607e+00 3.08 -2.532030258e+00 -2.532030258e+00 3.10 -2.472672140e+00 -2.472672140e+00 3.12 -2.414044467e+00 -2.414044467e+00 3.14 -2.356191514e+00 -2.356191514e+00 3.16 -2.299152065e+00 -2.299152065e+00 3.18 -2.242959838e+00 -2.242959838e+00 3.20 -2.187643881e+00 -2.187643881e+00 3.22 -2.133228935e+00 -2.133228935e+00 3.24 -2.079735780e+00 -2.079735780e+00 3.26 -2.027181553e+00 -2.027181553e+00 3.28 -1.975580047e+00 -1.975580047e+00 3.30 -1.924941988e+00 -1.924941988e+00 3.32 -1.875275292e+00 -1.875275292e+00 3.34 -1.826585306e+00 -1.826585306e+00 3.36 -1.778875034e+00 -1.778875034e+00 3.38 -1.732145340e+00 -1.732145340e+00 3.40 -1.686395145e+00 -1.686395145e+00 3.42 -1.641621605e+00 -1.641621605e+00 3.44 -1.597820277e+00 -1.597820277e+00 3.46 -1.554985275e+00 -1.554985275e+00 3.48 -1.513109411e+00 -1.513109411e+00 3.50 -1.472184329e+00 -1.472184329e+00 3.52 -1.432200631e+00 -1.432200631e+00 3.54 -1.393147983e+00 -1.393147983e+00 3.56 -1.355015227e+00 -1.355015227e+00 3.58 -1.317790477e+00 -1.317790477e+00 3.60 -1.281461206e+00 -1.281461206e+00 3.62 -1.246014330e+00 -1.246014330e+00 3.64 -1.211436287e+00 -1.211436287e+00 3.66 -1.177713103e+00 -1.177713103e+00 3.68 -1.144830459e+00 -1.144830459e+00 3.70 -1.112773748e+00 -1.112773748e+00 3.72 -1.081528135e+00 -1.081528135e+00 3.74 -1.051078600e+00 -1.051078600e+00 3.76 -1.021409988e+00 -1.021409988e+00 3.78 -9.925070486e-01 -9.925070486e-01 3.80 -9.643544761e-01 -9.643544761e-01 3.82 -9.368993507e-01 -9.368993507e-01 3.84 -9.068464913e-01 -9.068464913e-01 3.86 -8.590677329e-01 -8.590677329e-01 3.88 -7.772129902e-01 -7.772129902e-01 3.90 -7.109875788e-01 -7.109875788e-01 3.92 -6.905055793e-01 -6.905055793e-01 3.94 -6.705761305e-01 -6.705761305e-01 3.96 -6.511866184e-01 -6.511866184e-01 3.98 -6.323245562e-01 -6.323245562e-01 4.00 -6.139775962e-01 -6.139775962e-01 4.02 -5.961335403e-01 -5.961335403e-01 4.04 -5.787803503e-01 -5.787803503e-01 4.06 -5.619061554e-01 -5.619061554e-01 4.08 -5.454992602e-01 -5.454992602e-01 4.10 -5.295481507e-01 -5.295481507e-01 4.12 -5.140414997e-01 -5.140414997e-01 4.14 -4.989681714e-01 -4.989681714e-01 4.16 -4.843172248e-01 -4.843172248e-01 4.18 -4.700779176e-01 -4.700779176e-01 4.20 -4.562397074e-01 -4.562397074e-01 4.22 -4.427922547e-01 -4.427922547e-01 4.24 -4.297254230e-01 -4.297254230e-01 4.26 -4.170292805e-01 -4.170292805e-01 4.28 -4.046940995e-01 -4.046940995e-01 4.30 -3.927103569e-01 -3.927103569e-01 4.32 -3.810687335e-01 -3.810687335e-01 4.34 -3.697601128e-01 -3.697601128e-01 4.36 -3.587755802e-01 -3.587755802e-01 4.38 -3.481064214e-01 -3.481064214e-01 4.40 -3.377441207e-01 -3.377441207e-01 4.42 -3.268967988e-01 -3.268967988e-01 4.44 -3.057853240e-01 -3.057853240e-01 4.46 -2.499796232e-01 -2.499796232e-01 4.48 -1.319102665e-01 -1.319102665e-01 4.50 -1.367080868e-22 -1.366739970e-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 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