# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = Co2FeNi # 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 2024-03-01 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 nan nan 1.00 nan nan 1.02 -5.027710410e+02 -5.027710410e+02 1.04 -4.740704141e+02 -4.740704141e+02 1.06 -4.474949567e+02 -4.474949567e+02 1.08 -4.228447506e+02 -4.228447506e+02 1.10 -3.996100265e+02 -3.996100265e+02 1.12 -3.773552745e+02 -3.773552745e+02 1.14 -3.559196159e+02 -3.559196159e+02 1.16 -3.352420165e+02 -3.352420165e+02 1.18 -3.154079788e+02 -3.154079788e+02 1.20 -2.966157997e+02 -2.966157997e+02 1.22 -2.790328345e+02 -2.790328345e+02 1.24 -2.628053635e+02 -2.628053635e+02 1.26 -2.480306314e+02 -2.480306314e+02 1.28 -2.346925998e+02 -2.346925998e+02 1.30 -2.225267269e+02 -2.225267269e+02 1.32 -2.112340759e+02 -2.112340759e+02 1.34 -2.005685903e+02 -2.005685903e+02 1.36 -1.903921726e+02 -1.903921726e+02 1.38 -1.806258553e+02 -1.806258553e+02 1.40 -1.711671864e+02 -1.711671864e+02 1.42 -1.618773332e+02 -1.618773332e+02 1.44 -1.526680175e+02 -1.526680175e+02 1.46 -1.434786810e+02 -1.434786810e+02 1.48 -1.342783460e+02 -1.342783460e+02 1.50 -1.251120296e+02 -1.251120296e+02 1.52 -1.160503593e+02 -1.160503593e+02 1.54 -1.071503350e+02 -1.071503350e+02 1.56 -9.843910501e+01 -9.843910501e+01 1.58 -8.994626886e+01 -8.994626886e+01 1.60 -8.171269667e+01 -8.171269667e+01 1.62 -7.378053686e+01 -7.378053686e+01 1.64 -6.620621842e+01 -6.620621842e+01 1.66 -5.905131875e+01 -5.905131875e+01 1.68 -5.233570397e+01 -5.233570397e+01 1.70 -4.601990193e+01 -4.601990193e+01 1.72 -4.006388316e+01 -4.006388316e+01 1.74 -3.444721015e+01 -3.444721015e+01 1.76 -2.916566648e+01 -2.916566648e+01 1.78 -2.420327479e+01 -2.420327479e+01 1.80 -1.954057239e+01 -1.954057239e+01 1.82 -1.516684426e+01 -1.516684426e+01 1.84 -1.120672275e+01 -1.120672275e+01 1.86 -7.900596407e+00 -7.900596407e+00 1.88 -5.506589849e+00 -5.506589849e+00 1.90 -3.842128390e+00 -3.842128390e+00 1.92 -2.732264925e+00 -2.732264925e+00 1.94 -2.039780534e+00 -2.039780534e+00 1.96 -1.657761900e+00 -1.657761900e+00 1.98 -1.498506307e+00 -1.498506307e+00 2.00 -1.493789446e+00 -1.493789446e+00 2.02 -1.591760124e+00 -1.591760124e+00 2.04 -1.754448014e+00 -1.754448014e+00 2.06 -1.954317883e+00 -1.954317883e+00 2.08 -2.171934236e+00 -2.171934236e+00 2.10 -2.394207405e+00 -2.394207405e+00 2.12 -2.613126226e+00 -2.613126226e+00 2.14 -2.824257529e+00 -2.824257529e+00 2.16 -3.025092689e+00 -3.025092689e+00 2.18 -3.214159869e+00 -3.214159869e+00 2.20 -3.387307869e+00 -3.387307869e+00 2.22 -3.541188380e+00 -3.541188380e+00 2.24 -3.676482747e+00 -3.676482747e+00 2.26 -3.795042904e+00 -3.795042904e+00 2.28 -3.898596487e+00 -3.898596487e+00 2.30 -3.987829082e+00 -3.987829082e+00 2.32 -4.063470144e+00 -4.063470144e+00 2.34 -4.126322661e+00 -4.126322661e+00 2.36 -4.177298692e+00 -4.177298692e+00 2.38 -4.217525106e+00 -4.217525106e+00 2.40 -4.247991641e+00 -4.247991641e+00 2.42 -4.269554439e+00 -4.269554439e+00 2.44 -4.283376460e+00 -4.283376460e+00 2.46 -4.290660464e+00 -4.290660464e+00 2.48 -4.292143090e+00 -4.292143090e+00 2.50 -4.288598177e+00 -4.288598177e+00 2.52 -4.279886597e+00 -4.279886597e+00 2.54 -4.264900485e+00 -4.264900485e+00 2.56 -4.242941848e+00 -4.242941848e+00 2.58 -4.214057963e+00 -4.214057963e+00 2.60 -4.178548189e+00 -4.178548189e+00 2.62 -4.136811039e+00 -4.136811039e+00 2.64 -4.089317474e+00 -4.089317474e+00 2.66 -4.036550330e+00 -4.036550330e+00 2.68 -3.978832173e+00 -3.978832173e+00 2.70 -3.916415544e+00 -3.916415544e+00 2.72 -3.849580340e+00 -3.849580340e+00 2.74 -3.778700136e+00 -3.778700136e+00 2.76 -3.704378670e+00 -3.704378670e+00 2.78 -3.627527644e+00 -3.627527644e+00 2.80 -3.549337590e+00 -3.549337590e+00 2.82 -3.471136559e+00 -3.471136559e+00 2.84 -3.394173457e+00 -3.394173457e+00 2.86 -3.319499701e+00 -3.319499701e+00 2.88 -3.247841743e+00 -3.247841743e+00 2.90 -3.179592768e+00 -3.179592768e+00 2.92 -3.114953719e+00 -3.114953719e+00 2.94 -3.053659656e+00 -3.053659656e+00 2.96 -2.995216207e+00 -2.995216207e+00 2.98 -2.938266748e+00 -2.938266748e+00 3.00 -2.879175609e+00 -2.879175609e+00 3.02 -2.814158841e+00 -2.814158841e+00 3.04 -2.739602438e+00 -2.739602438e+00 3.06 -2.651899981e+00 -2.651899981e+00 3.08 -2.547448713e+00 -2.547448713e+00 3.10 -2.422794370e+00 -2.422794370e+00 3.12 -2.275000988e+00 -2.275000988e+00 3.14 -2.101874947e+00 -2.101874947e+00 3.16 -1.901858020e+00 -1.901858020e+00 3.18 -1.676476395e+00 -1.676476395e+00 3.20 -1.527897754e+00 -1.527897754e+00 3.22 -1.462188846e+00 -1.462188846e+00 3.24 -1.398620212e+00 -1.398620212e+00 3.26 -1.337329713e+00 -1.337329713e+00 3.28 -1.278348301e+00 -1.278348301e+00 3.30 -1.221610219e+00 -1.221610219e+00 3.32 -1.166974840e+00 -1.166974840e+00 3.34 -1.114257810e+00 -1.114257810e+00 3.36 -1.063267339e+00 -1.063267339e+00 3.38 -1.013840465e+00 -1.013840465e+00 3.40 -9.658783726e-01 -9.658783726e-01 3.42 -9.193763617e-01 -9.193763617e-01 3.44 -8.743768834e-01 -8.743768834e-01 3.46 -8.309411724e-01 -8.309411724e-01 3.48 -7.891280321e-01 -7.891280321e-01 3.50 -7.489774996e-01 -7.489774996e-01 3.52 -7.105016117e-01 -7.105016117e-01 3.54 -6.736823128e-01 -6.736823128e-01 3.56 -6.384756576e-01 -6.384756576e-01 3.58 -6.048283931e-01 -6.048283931e-01 3.60 -5.726951671e-01 -5.726951671e-01 3.62 -5.420316912e-01 -5.420316912e-01 3.64 -5.127928174e-01 -5.127928174e-01 3.66 -4.849422427e-01 -4.849422427e-01 3.68 -4.584474979e-01 -4.584474979e-01 3.70 -4.332739165e-01 -4.332739165e-01 3.72 -4.093840823e-01 -4.093840823e-01 3.74 -3.867375669e-01 -3.867375669e-01 3.76 -3.652906233e-01 -3.652906233e-01 3.78 -3.449960206e-01 -3.449960206e-01 3.80 -3.258028738e-01 -3.258028738e-01 3.82 -3.076566260e-01 -3.076566260e-01 3.84 -2.904991392e-01 -2.904991392e-01 3.86 -2.742695521e-01 -2.742695521e-01 3.88 -2.589120568e-01 -2.589120568e-01 3.90 -2.443730835e-01 -2.443730835e-01 3.92 -2.305978290e-01 -2.305978290e-01 3.94 -2.175393134e-01 -2.175393134e-01 3.96 -2.051669126e-01 -2.051669126e-01 3.98 -1.934522292e-01 -1.934522292e-01 4.00 -1.823671638e-01 -1.823671638e-01 4.02 -1.718840563e-01 -1.718840563e-01 4.04 -1.619756807e-01 -1.619756807e-01 4.06 -1.526150969e-01 -1.526150969e-01 4.08 -1.437757106e-01 -1.437757106e-01 4.10 -1.354313375e-01 -1.354313375e-01 4.12 -1.275559349e-01 -1.275559349e-01 4.14 -1.201227862e-01 -1.201227862e-01 4.16 -1.131036686e-01 -1.131036686e-01 4.18 -1.064703469e-01 -1.064703469e-01 4.20 -1.001999865e-01 -1.001999865e-01 4.22 -9.429744423e-02 -9.429744423e-02 4.24 -8.877701775e-02 -8.877701775e-02 4.26 -8.365311468e-02 -8.365311468e-02 4.28 -7.894018615e-02 -7.894018615e-02 4.30 -7.465274345e-02 -7.465274345e-02 4.32 -7.080505826e-02 -7.080505826e-02 4.34 -6.741141151e-02 -6.741141151e-02 4.36 -6.448542447e-02 -6.448542447e-02 4.38 -6.204039937e-02 -6.204039937e-02 4.40 -6.008846218e-02 -6.008846218e-02 4.42 -5.864063402e-02 -5.864063402e-02 4.44 -5.770613993e-02 -5.770613993e-02 4.46 -5.729176581e-02 -5.729176581e-02 4.48 -5.740119991e-02 -5.740119991e-02 4.50 -5.803409657e-02 -5.803409657e-02 4.52 -5.918245968e-02 -5.918245968e-02 4.54 -6.081003229e-02 -6.081003229e-02 4.56 -6.286823193e-02 -6.286823193e-02 4.58 -6.530222854e-02 -6.530222854e-02 4.60 -6.804911430e-02 -6.804911430e-02 4.62 -7.103823657e-02 -7.103823657e-02 4.64 -7.419304117e-02 -7.419304117e-02 4.66 -7.743340466e-02 -7.743340466e-02 4.68 -8.067946679e-02 -8.067946679e-02 4.70 -8.385596735e-02 -8.385596735e-02 4.72 -8.689664717e-02 -8.689664717e-02 4.74 -8.974764666e-02 -8.974764666e-02 4.76 -9.236998601e-02 -9.236998601e-02 4.78 -9.473786422e-02 -9.473786422e-02 4.80 -9.684027114e-02 -9.684027114e-02 4.82 -9.868292906e-02 -9.868292906e-02 4.84 -1.002782960e-01 -1.002782960e-01 4.86 -1.016397626e-01 -1.016397626e-01 4.88 -1.027783903e-01 -1.027783903e-01 4.90 -1.037000764e-01 -1.037000764e-01 4.92 -1.044037577e-01 -1.044037577e-01 4.94 -1.048814050e-01 -1.048814050e-01 4.96 -1.051095156e-01 -1.051095156e-01 4.98 -1.050222690e-01 -1.050222690e-01 5.00 -1.045587844e-01 -1.045587844e-01 5.02 -1.036741901e-01 -1.036741901e-01 5.04 -1.023414008e-01 -1.023414008e-01 5.06 -1.005545207e-01 -1.005545207e-01 5.08 -9.832371462e-02 -9.832371462e-02 5.10 -9.566804994e-02 -9.566804994e-02 5.12 -9.261141047e-02 -9.261141047e-02 5.14 -8.917871845e-02 -8.917871845e-02 5.16 -8.539251069e-02 -8.539251069e-02 5.18 -8.127069289e-02 -8.127069289e-02 5.20 -7.682552841e-02 -7.682552841e-02 5.22 -7.206563917e-02 -7.206563917e-02 5.24 -6.700530802e-02 -6.700530802e-02 5.26 -6.166666833e-02 -6.166666833e-02 5.28 -5.608465353e-02 -5.608465353e-02 5.30 -5.031261380e-02 -5.031261380e-02 5.32 -4.442558870e-02 -4.442558870e-02 5.34 -3.852038638e-02 -3.852038638e-02 5.36 -3.271127392e-02 -3.271127392e-02 5.38 -2.712251377e-02 -2.712251377e-02 5.40 -2.187772143e-02 -2.187772143e-02 5.42 -1.708851008e-02 -1.708851008e-02 5.44 -1.284410143e-02 -1.284410143e-02 5.46 -9.203447596e-03 -9.203447596e-03 5.48 -6.191198633e-03 -6.191198633e-03 5.50 -3.797698701e-03 -3.797698701e-03 5.52 -1.981525807e-03 -1.981525807e-03 5.54 -6.804416918e-04 -6.804416918e-04 5.56 1.777150022e-04 1.777150022e-04 5.58 6.753888407e-04 6.753888407e-04 5.60 8.974908981e-04 8.974908981e-04 5.62 9.243238011e-04 9.243238011e-04 5.64 8.269918439e-04 8.269918439e-04 5.66 6.647083904e-04 6.647083904e-04 5.68 4.831592009e-04 4.831592009e-04 5.70 3.145558113e-04 3.145558113e-04 5.72 1.784496621e-04 1.784496621e-04 5.74 8.320710885e-05 8.320710885e-05 5.76 2.796933318e-05 2.796933318e-05 5.78 4.597884036e-06 4.597884036e-06 5.80 2.165900517e-09 2.148843291e-09 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