# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--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 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 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 -5.027708961e+02 -5.027708961e+02 1.04 -4.740702819e+02 -4.740702819e+02 1.06 -4.474948321e+02 -4.474948321e+02 1.08 -4.228446356e+02 -4.228446356e+02 1.10 -3.996099172e+02 -3.996099172e+02 1.12 -3.773551702e+02 -3.773551702e+02 1.14 -3.559195200e+02 -3.559195200e+02 1.16 -3.352419316e+02 -3.352419316e+02 1.18 -3.154078985e+02 -3.154078985e+02 1.20 -2.966157245e+02 -2.966157245e+02 1.22 -2.790327633e+02 -2.790327633e+02 1.24 -2.628053018e+02 -2.628053018e+02 1.26 -2.480305712e+02 -2.480305712e+02 1.28 -2.346925431e+02 -2.346925431e+02 1.30 -2.225266771e+02 -2.225266771e+02 1.32 -2.112340279e+02 -2.112340279e+02 1.34 -2.005685461e+02 -2.005685461e+02 1.36 -1.903921312e+02 -1.903921312e+02 1.38 -1.806258182e+02 -1.806258182e+02 1.40 -1.711671505e+02 -1.711671505e+02 1.42 -1.618773008e+02 -1.618773008e+02 1.44 -1.526679871e+02 -1.526679871e+02 1.46 -1.434786489e+02 -1.434786489e+02 1.48 -1.342783202e+02 -1.342783202e+02 1.50 -1.251120057e+02 -1.251120057e+02 1.52 -1.160503373e+02 -1.160503373e+02 1.54 -1.071503168e+02 -1.071503168e+02 1.56 -9.843908852e+01 -9.843908852e+01 1.58 -8.994625465e+01 -8.994625465e+01 1.60 -8.171268112e+01 -8.171268112e+01 1.62 -7.378052482e+01 -7.378052482e+01 1.64 -6.620620772e+01 -6.620620772e+01 1.66 -5.905131077e+01 -5.905131077e+01 1.68 -5.233569653e+01 -5.233569653e+01 1.70 -4.601989531e+01 -4.601989531e+01 1.72 -4.006387803e+01 -4.006387803e+01 1.74 -3.444720565e+01 -3.444720565e+01 1.76 -2.916566493e+01 -2.916566493e+01 1.78 -2.420327354e+01 -2.420327354e+01 1.80 -1.954057108e+01 -1.954057108e+01 1.82 -1.516684253e+01 -1.516684253e+01 1.84 -1.120672471e+01 -1.120672471e+01 1.86 -7.900596085e+00 -7.900596085e+00 1.88 -5.506588975e+00 -5.506588975e+00 1.90 -3.842128387e+00 -3.842128387e+00 1.92 -2.732264795e+00 -2.732264795e+00 1.94 -2.039780475e+00 -2.039780475e+00 1.96 -1.657761807e+00 -1.657761807e+00 1.98 -1.498506416e+00 -1.498506416e+00 2.00 -1.493789426e+00 -1.493789426e+00 2.02 -1.591760087e+00 -1.591760087e+00 2.04 -1.754448004e+00 -1.754448004e+00 2.06 -1.954317961e+00 -1.954317961e+00 2.08 -2.171934168e+00 -2.171934168e+00 2.10 -2.394207469e+00 -2.394207469e+00 2.12 -2.613126267e+00 -2.613126267e+00 2.14 -2.824257549e+00 -2.824257549e+00 2.16 -3.025092784e+00 -3.025092784e+00 2.18 -3.214159800e+00 -3.214159800e+00 2.20 -3.387307876e+00 -3.387307876e+00 2.22 -3.541188353e+00 -3.541188353e+00 2.24 -3.676482778e+00 -3.676482778e+00 2.26 -3.795042934e+00 -3.795042934e+00 2.28 -3.898596493e+00 -3.898596493e+00 2.30 -3.987829066e+00 -3.987829066e+00 2.32 -4.063470159e+00 -4.063470159e+00 2.34 -4.126322646e+00 -4.126322646e+00 2.36 -4.177298693e+00 -4.177298693e+00 2.38 -4.217525101e+00 -4.217525101e+00 2.40 -4.247991636e+00 -4.247991636e+00 2.42 -4.269554442e+00 -4.269554442e+00 2.44 -4.283376461e+00 -4.283376461e+00 2.46 -4.290660465e+00 -4.290660465e+00 2.48 -4.292143099e+00 -4.292143099e+00 2.50 -4.288598183e+00 -4.288598183e+00 2.52 -4.279886597e+00 -4.279886597e+00 2.54 -4.264900478e+00 -4.264900478e+00 2.56 -4.242941847e+00 -4.242941847e+00 2.58 -4.214057955e+00 -4.214057955e+00 2.60 -4.178548196e+00 -4.178548196e+00 2.62 -4.136811036e+00 -4.136811036e+00 2.64 -4.089317483e+00 -4.089317483e+00 2.66 -4.036550333e+00 -4.036550333e+00 2.68 -3.978832180e+00 -3.978832180e+00 2.70 -3.916415529e+00 -3.916415529e+00 2.72 -3.849580349e+00 -3.849580349e+00 2.74 -3.778700146e+00 -3.778700146e+00 2.76 -3.704378684e+00 -3.704378684e+00 2.78 -3.627527662e+00 -3.627527662e+00 2.80 -3.549337605e+00 -3.549337605e+00 2.82 -3.471136578e+00 -3.471136578e+00 2.84 -3.394173453e+00 -3.394173453e+00 2.86 -3.319499684e+00 -3.319499684e+00 2.88 -3.247841736e+00 -3.247841736e+00 2.90 -3.179592778e+00 -3.179592778e+00 2.92 -3.114953722e+00 -3.114953722e+00 2.94 -3.053659649e+00 -3.053659649e+00 2.96 -2.995216216e+00 -2.995216216e+00 2.98 -2.938266736e+00 -2.938266736e+00 3.00 -2.879175591e+00 -2.879175591e+00 3.02 -2.814158852e+00 -2.814158852e+00 3.04 -2.739602419e+00 -2.739602419e+00 3.06 -2.651899976e+00 -2.651899976e+00 3.08 -2.547448712e+00 -2.547448712e+00 3.10 -2.422794388e+00 -2.422794388e+00 3.12 -2.275001006e+00 -2.275001006e+00 3.14 -2.101874908e+00 -2.101874908e+00 3.16 -1.901858036e+00 -1.901858036e+00 3.18 -1.676476385e+00 -1.676476385e+00 3.20 -1.435084155e+00 -1.435084155e+00 3.22 -1.187966252e+00 -1.187966252e+00 3.24 -9.447467601e-01 -9.447467601e-01 3.26 -7.140295006e-01 -7.140295006e-01 3.28 -5.028718290e-01 -5.028718290e-01 3.30 -3.161594213e-01 -3.161594213e-01 3.32 -1.561362341e-01 -1.561362341e-01 3.34 -2.236567213e-02 -2.236567213e-02 3.36 8.771733319e-02 8.771733319e-02 3.38 1.779322508e-01 1.779322508e-01 3.40 2.524101921e-01 2.524101921e-01 3.42 3.148151005e-01 3.148151005e-01 3.44 3.680135236e-01 3.680135236e-01 3.46 4.140544370e-01 4.140544370e-01 3.48 4.543344788e-01 4.543344788e-01 3.50 4.898223087e-01 4.898223087e-01 3.52 5.212573260e-01 5.212573260e-01 3.54 5.492869948e-01 5.492869948e-01 3.56 5.745361447e-01 5.745361447e-01 3.58 5.975793927e-01 5.975793927e-01 3.60 6.188729054e-01 6.188729054e-01 3.62 6.387838048e-01 6.387838048e-01 3.64 6.576020823e-01 6.576020823e-01 3.66 6.755382801e-01 6.755382801e-01 3.68 6.927364638e-01 6.927364638e-01 3.70 7.092878268e-01 7.092878268e-01 3.72 7.252388840e-01 7.252388840e-01 3.74 7.405986667e-01 7.405986667e-01 3.76 7.553455176e-01 7.553455176e-01 3.78 7.694329645e-01 7.694329645e-01 3.80 7.827944717e-01 7.827944717e-01 3.82 7.953476784e-01 7.953476784e-01 3.84 8.069966221e-01 8.069966221e-01 3.86 8.176451094e-01 8.176451094e-01 3.88 8.272865699e-01 8.272865699e-01 3.90 8.359637753e-01 8.359637753e-01 3.92 8.437208124e-01 8.437208124e-01 3.94 8.505917621e-01 8.505917621e-01 3.96 8.565921144e-01 8.565921144e-01 3.98 8.617337064e-01 8.617337064e-01 4.00 8.660271850e-01 8.660271850e-01 4.02 8.694817244e-01 8.694817244e-01 4.04 8.721051071e-01 8.721051071e-01 4.06 8.739035395e-01 8.739035395e-01 4.08 8.748817773e-01 8.748817773e-01 4.10 8.750430600e-01 8.750430600e-01 4.12 8.743890868e-01 8.743890868e-01 4.14 8.729209740e-01 8.729209740e-01 4.16 8.706399392e-01 8.706399392e-01 4.18 8.675457633e-01 8.675457633e-01 4.20 8.636310644e-01 8.636310644e-01 4.22 8.588595206e-01 8.588595206e-01 4.24 8.531831734e-01 8.531831734e-01 4.26 8.465526632e-01 8.465526632e-01 4.28 8.389161936e-01 8.389161936e-01 4.30 8.302202454e-01 8.302202454e-01 4.32 8.204091572e-01 8.204091572e-01 4.34 8.094251639e-01 8.094251639e-01 4.36 7.972086142e-01 7.972086142e-01 4.38 7.836980005e-01 7.836980005e-01 4.40 7.688298425e-01 7.688298425e-01 4.42 7.525393179e-01 7.525393179e-01 4.44 7.347601337e-01 7.347601337e-01 4.46 7.154253656e-01 7.154253656e-01 4.48 6.944675682e-01 6.944675682e-01 4.50 6.718199549e-01 6.718199549e-01 4.52 6.474195450e-01 6.474195450e-01 4.54 6.212484209e-01 6.212484209e-01 4.56 5.933645823e-01 5.933645823e-01 4.58 5.638525373e-01 5.638525373e-01 4.60 5.328120826e-01 5.328120826e-01 4.62 5.003575716e-01 5.003575716e-01 4.64 4.666179844e-01 4.666179844e-01 4.66 4.317347101e-01 4.317347101e-01 4.68 3.958592864e-01 3.958592864e-01 4.70 3.591498091e-01 3.591498091e-01 4.72 3.217675470e-01 3.217675470e-01 4.74 2.838744286e-01 2.838744286e-01 4.76 2.456322425e-01 2.456322425e-01 4.78 2.072028930e-01 2.072028930e-01 4.80 1.687482727e-01 1.687482727e-01 4.82 1.304277909e-01 1.304277909e-01 4.84 9.240778590e-02 9.240778590e-02 4.86 5.486623549e-02 5.486623549e-02 4.88 1.799601322e-02 1.799601322e-02 4.90 -1.799393709e-02 -1.799393709e-02 4.92 -5.287749875e-02 -5.287749875e-02 4.94 -8.642111825e-02 -8.642111825e-02 4.96 -1.181527292e-01 -1.181527292e-01 4.98 -1.464874626e-01 -1.464874626e-01 5.00 -1.701488749e-01 -1.701488749e-01 5.02 -1.884792841e-01 -1.884792841e-01 5.04 -2.013772460e-01 -2.013772460e-01 5.06 -2.092113044e-01 -2.092113044e-01 5.08 -2.127067213e-01 -2.127067213e-01 5.10 -2.128133919e-01 -2.128133919e-01 5.12 -2.105660756e-01 -2.105660756e-01 5.14 -2.069443021e-01 -2.069443021e-01 5.16 -2.027434493e-01 -2.027434493e-01 5.18 -1.984700404e-01 -1.984700404e-01 5.20 -1.942737869e-01 -1.942737869e-01 5.22 -1.899285557e-01 -1.899285557e-01 5.24 -1.848921845e-01 -1.848921845e-01 5.26 -1.784717586e-01 -1.784717586e-01 5.28 -1.700048137e-01 -1.700048137e-01 5.30 -1.590226684e-01 -1.590226684e-01 5.32 -1.453719287e-01 -1.453719287e-01 5.34 -1.292706712e-01 -1.292706712e-01 5.36 -1.112900207e-01 -1.112900207e-01 5.38 -9.226613952e-02 -9.226613952e-02 5.40 -7.316670645e-02 -7.316670645e-02 5.42 -5.494341264e-02 -5.494341264e-02 5.44 -3.840536280e-02 -3.840536280e-02 5.46 -2.413623372e-02 -2.413623372e-02 5.48 -1.246259646e-02 -1.246259646e-02 5.50 -3.467609656e-03 -3.467609656e-03 5.52 2.970115702e-03 2.970115702e-03 5.54 7.116996564e-03 7.116996564e-03 5.56 9.328102843e-03 9.328102843e-03 5.58 1.000787391e-02 1.000787391e-02 5.60 9.568742421e-03 9.568742421e-03 5.62 8.399353823e-03 8.399353823e-03 5.64 6.841408848e-03 6.841408848e-03 5.66 5.174123505e-03 5.174123505e-03 5.68 3.607048974e-03 3.607048974e-03 5.70 2.280106796e-03 2.280106796e-03 5.72 1.266649552e-03 1.266649552e-03 5.74 5.820370641e-04 5.820370641e-04 5.76 1.936409082e-04 1.936409082e-04 5.78 3.154717994e-05 3.154717994e-05 5.80 1.950165426e-07 1.950165426e-07 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