# 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 = AlCo2Ni # 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 3.244202214e+02 3.244202214e+02 0.94 3.034317573e+02 3.034317573e+02 0.96 2.837052416e+02 2.837052416e+02 0.98 2.651678125e+02 2.651678125e+02 1.00 2.477506971e+02 2.477506971e+02 1.02 2.313889864e+02 2.313889864e+02 1.04 2.160214238e+02 2.160214238e+02 1.06 2.015902047e+02 2.015902047e+02 1.08 1.880407862e+02 1.880407862e+02 1.10 1.753217076e+02 1.753217076e+02 1.12 1.633844209e+02 1.633844209e+02 1.14 1.521831292e+02 1.521831292e+02 1.16 1.416746353e+02 1.416746353e+02 1.18 1.318181977e+02 1.318181977e+02 1.20 1.225753940e+02 1.225753940e+02 1.22 1.139099928e+02 1.139099928e+02 1.24 1.057878317e+02 1.057878317e+02 1.26 9.817670202e+01 9.817670202e+01 1.28 9.104624032e+01 9.104624032e+01 1.30 8.436782510e+01 8.436782510e+01 1.32 7.811447965e+01 7.811447965e+01 1.34 7.226077998e+01 7.226077998e+01 1.36 6.678276789e+01 6.678276789e+01 1.38 6.165786870e+01 6.165786870e+01 1.40 5.686481354e+01 5.686481354e+01 1.42 5.238356590e+01 5.238356590e+01 1.44 4.819525220e+01 4.819525220e+01 1.46 4.428209621e+01 4.428209621e+01 1.48 4.062735704e+01 4.062735704e+01 1.50 3.721527055e+01 3.721527055e+01 1.52 3.403099406e+01 3.403099406e+01 1.54 3.106055402e+01 3.106055402e+01 1.56 2.829079667e+01 2.829079667e+01 1.58 2.570934135e+01 2.570934135e+01 1.60 2.330453646e+01 2.330453646e+01 1.62 2.106541786e+01 2.106541786e+01 1.64 1.898166957e+01 1.898166957e+01 1.66 1.704358663e+01 1.704358663e+01 1.68 1.524204010e+01 1.524204010e+01 1.70 1.356844400e+01 1.356844400e+01 1.72 1.201472401e+01 1.201472401e+01 1.74 1.057328808e+01 1.057328808e+01 1.76 9.236998522e+00 9.236998522e+00 1.78 7.999145820e+00 7.999145820e+00 1.80 6.853423798e+00 6.853423798e+00 1.82 5.793906249e+00 5.793906249e+00 1.84 4.815024868e+00 4.815024868e+00 1.86 3.911548424e+00 3.911548424e+00 1.88 3.078563120e+00 3.078563120e+00 1.90 2.311454062e+00 2.311454062e+00 1.92 1.605887773e+00 1.605887773e+00 1.94 9.577957139e-01 9.577957139e-01 1.96 3.633587322e-01 3.633587322e-01 1.98 -1.810076027e-01 -1.810076027e-01 2.00 -6.786668232e-01 -6.786668232e-01 2.02 -1.132774598e+00 -1.132774598e+00 2.04 -1.546291025e+00 -1.546291025e+00 2.06 -1.921992212e+00 -1.921992212e+00 2.08 -2.262481198e+00 -2.262481198e+00 2.10 -2.570198249e+00 -2.570198249e+00 2.12 -2.847430548e+00 -2.847430548e+00 2.14 -3.096321342e+00 -3.096321342e+00 2.16 -3.318878552e+00 -3.318878552e+00 2.18 -3.516982883e+00 -3.516982883e+00 2.20 -3.692395469e+00 -3.692395469e+00 2.22 -3.846765071e+00 -3.846765071e+00 2.24 -3.981634861e+00 -3.981634861e+00 2.26 -4.098448801e+00 -4.098448801e+00 2.28 -4.198557660e+00 -4.198557660e+00 2.30 -4.283224676e+00 -4.283224676e+00 2.32 -4.353630881e+00 -4.353630881e+00 2.34 -4.410880125e+00 -4.410880125e+00 2.36 -4.456003793e+00 -4.456003793e+00 2.38 -4.489965252e+00 -4.489965252e+00 2.40 -4.513664032e+00 -4.513664032e+00 2.42 -4.527939765e+00 -4.527939765e+00 2.44 -4.533575881e+00 -4.533575881e+00 2.46 -4.531303097e+00 -4.531303097e+00 2.48 -4.521802691e+00 -4.521802691e+00 2.50 -4.505709582e+00 -4.505709582e+00 2.52 -4.483615228e+00 -4.483615228e+00 2.54 -4.456070350e+00 -4.456070350e+00 2.56 -4.423587495e+00 -4.423587495e+00 2.58 -4.386643442e+00 -4.386643442e+00 2.60 -4.345681463e+00 -4.345681463e+00 2.62 -4.301113454e+00 -4.301113454e+00 2.64 -4.253321929e+00 -4.253321929e+00 2.66 -4.202661901e+00 -4.202661901e+00 2.68 -4.149462640e+00 -4.149462640e+00 2.70 -4.094029335e+00 -4.094029335e+00 2.72 -4.036644650e+00 -4.036644650e+00 2.74 -3.977570187e+00 -3.977570187e+00 2.76 -3.917047834e+00 -3.917047834e+00 2.78 -3.855301073e+00 -3.855301073e+00 2.80 -3.792536203e+00 -3.792536203e+00 2.82 -3.728943448e+00 -3.728943448e+00 2.84 -3.664698028e+00 -3.664698028e+00 2.86 -3.599961159e+00 -3.599961159e+00 2.88 -3.534880986e+00 -3.534880986e+00 2.90 -3.469593464e+00 -3.469593464e+00 2.92 -3.404223178e+00 -3.404223178e+00 2.94 -3.338884117e+00 -3.338884117e+00 2.96 -3.273680395e+00 -3.273680395e+00 2.98 -3.208706929e+00 -3.208706929e+00 3.00 -3.144050075e+00 -3.144050075e+00 3.02 -3.079788220e+00 -3.079788220e+00 3.04 -3.015992342e+00 -3.015992342e+00 3.06 -2.952726530e+00 -2.952726530e+00 3.08 -2.890048469e+00 -2.890048469e+00 3.10 -2.828009905e+00 -2.828009905e+00 3.12 -2.766657061e+00 -2.766657061e+00 3.14 -2.706031048e+00 -2.706031048e+00 3.16 -2.646168231e+00 -2.646168231e+00 3.18 -2.587100583e+00 -2.587100583e+00 3.20 -2.528856010e+00 -2.528856010e+00 3.22 -2.471458657e+00 -2.471458657e+00 3.24 -2.414929194e+00 -2.414929194e+00 3.26 -2.359285079e+00 -2.359285079e+00 3.28 -2.304540814e+00 -2.304540814e+00 3.30 -2.250708169e+00 -2.250708169e+00 3.32 -2.197796406e+00 -2.197796406e+00 3.34 -2.145812475e+00 -2.145812475e+00 3.36 -2.094761208e+00 -2.094761208e+00 3.38 -2.044645490e+00 -2.044645490e+00 3.40 -1.995466427e+00 -1.995466427e+00 3.42 -1.947223495e+00 -1.947223495e+00 3.44 -1.899914686e+00 -1.899914686e+00 3.46 -1.853536636e+00 -1.853536636e+00 3.48 -1.808084749e+00 -1.808084749e+00 3.50 -1.763553316e+00 -1.763553316e+00 3.52 -1.719935613e+00 -1.719935613e+00 3.54 -1.677224007e+00 -1.677224007e+00 3.56 -1.635410045e+00 -1.635410045e+00 3.58 -1.594484538e+00 -1.594484538e+00 3.60 -1.554437642e+00 -1.554437642e+00 3.62 -1.515258930e+00 -1.515258930e+00 3.64 -1.476937458e+00 -1.476937458e+00 3.66 -1.439461831e+00 -1.439461831e+00 3.68 -1.402820261e+00 -1.402820261e+00 3.70 -1.367000615e+00 -1.367000615e+00 3.72 -1.331990473e+00 -1.331990473e+00 3.74 -1.297777167e+00 -1.297777167e+00 3.76 -1.264347824e+00 -1.264347824e+00 3.78 -1.231689408e+00 -1.231689408e+00 3.80 -1.199788753e+00 -1.199788753e+00 3.82 -1.168634255e+00 -1.168634255e+00 3.84 -1.138353347e+00 -1.138353347e+00 3.86 -1.108393105e+00 -1.108393105e+00 3.88 -1.067434076e+00 -1.067434076e+00 3.90 -1.018297154e+00 -1.018297154e+00 3.92 -9.922418578e-01 -9.922418578e-01 3.94 -9.667936982e-01 -9.667936982e-01 3.96 -9.419411407e-01 -9.419411407e-01 3.98 -9.176727022e-01 -9.176727022e-01 4.00 -8.939769642e-01 -8.939769642e-01 4.02 -8.708425851e-01 -8.708425851e-01 4.04 -8.482583102e-01 -8.482583102e-01 4.06 -8.262129818e-01 -8.262129818e-01 4.08 -8.046955476e-01 -8.046955476e-01 4.10 -7.836950687e-01 -7.836950687e-01 4.12 -7.632007269e-01 -7.632007269e-01 4.14 -7.432018303e-01 -7.432018303e-01 4.16 -7.236878193e-01 -7.236878193e-01 4.18 -7.046482714e-01 -7.046482714e-01 4.20 -6.860729056e-01 -6.860729056e-01 4.22 -6.679515858e-01 -6.679515858e-01 4.24 -6.502743242e-01 -6.502743242e-01 4.26 -6.330312841e-01 -6.330312841e-01 4.28 -6.162127819e-01 -6.162127819e-01 4.30 -5.998092890e-01 -5.998092890e-01 4.32 -5.838114335e-01 -5.838114335e-01 4.34 -5.682100011e-01 -5.682100011e-01 4.36 -5.529959357e-01 -5.529959357e-01 4.38 -5.381603403e-01 -5.381603403e-01 4.40 -5.236944768e-01 -5.236944768e-01 4.42 -5.088946724e-01 -5.088946724e-01 4.44 -4.848489792e-01 -4.848489792e-01 4.46 -4.241745563e-01 -4.241745563e-01 4.48 -2.637036029e-01 -2.637036029e-01 4.50 -4.490043888e-22 -4.492651757e-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