# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Co2CuNi # 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 nan nan 1.04 -3.905648707e+02 -3.905648707e+02 1.06 -3.690078556e+02 -3.690078556e+02 1.08 -3.487999315e+02 -3.487999315e+02 1.10 -3.295916015e+02 -3.295916015e+02 1.12 -3.105957434e+02 -3.105957434e+02 1.14 -2.916687838e+02 -2.916687838e+02 1.16 -2.736051288e+02 -2.736051288e+02 1.18 -2.565500847e+02 -2.565500847e+02 1.20 -2.413504615e+02 -2.413504615e+02 1.22 -2.282279910e+02 -2.282279910e+02 1.24 -2.163674937e+02 -2.163674937e+02 1.26 -2.050157722e+02 -2.050157722e+02 1.28 -1.948294957e+02 -1.948294957e+02 1.30 -1.851559907e+02 -1.851559907e+02 1.32 -1.758245462e+02 -1.758245462e+02 1.34 -1.664646713e+02 -1.664646713e+02 1.36 -1.574693440e+02 -1.574693440e+02 1.38 -1.488656657e+02 -1.488656657e+02 1.40 -1.410753365e+02 -1.410753365e+02 1.42 -1.335118559e+02 -1.335118559e+02 1.44 -1.258556657e+02 -1.258556657e+02 1.46 -1.182880447e+02 -1.182880447e+02 1.48 -1.104730970e+02 -1.104730970e+02 1.50 -1.027010309e+02 -1.027010309e+02 1.52 -9.515307541e+01 -9.515307541e+01 1.54 -8.784180550e+01 -8.784180550e+01 1.56 -8.062193097e+01 -8.062193097e+01 1.58 -7.334523224e+01 -7.334523224e+01 1.60 -6.579971003e+01 -6.579971003e+01 1.62 -5.788788391e+01 -5.788788391e+01 1.64 -4.993119159e+01 -4.993119159e+01 1.66 -4.242398826e+01 -4.242398826e+01 1.68 -3.534347142e+01 -3.534347142e+01 1.70 -2.879066967e+01 -2.879066967e+01 1.72 -2.275971767e+01 -2.275971767e+01 1.74 -1.738837563e+01 -1.738837563e+01 1.76 -1.270438697e+01 -1.270438697e+01 1.78 -8.574277247e+00 -8.574277247e+00 1.80 -5.443640315e+00 -5.443640315e+00 1.82 -3.238126101e+00 -3.238126101e+00 1.84 -1.743153955e+00 -1.743153955e+00 1.86 -7.862952688e-01 -7.862952688e-01 1.88 -2.492900808e-01 -2.492900808e-01 1.90 -1.188704138e-02 -1.188704138e-02 1.92 2.820705990e-02 2.820705990e-02 1.94 -5.954910301e-02 -5.954910301e-02 1.96 -2.349988521e-01 -2.349988521e-01 1.98 -4.727073859e-01 -4.727073859e-01 2.00 -7.558332217e-01 -7.558335834e-01 2.02 -1.067839679e+00 -1.067839679e+00 2.04 -1.394072544e+00 -1.394072544e+00 2.06 -1.724996022e+00 -1.724996022e+00 2.08 -2.050826250e+00 -2.050826250e+00 2.10 -2.361860783e+00 -2.361860783e+00 2.12 -2.649348704e+00 -2.649348704e+00 2.14 -2.906187954e+00 -2.906187954e+00 2.16 -3.129446424e+00 -3.129446424e+00 2.18 -3.317333976e+00 -3.317333976e+00 2.20 -3.469214134e+00 -3.469214134e+00 2.22 -3.586872215e+00 -3.586872215e+00 2.24 -3.676551223e+00 -3.676551223e+00 2.26 -3.745393995e+00 -3.745393995e+00 2.28 -3.799718890e+00 -3.799718890e+00 2.30 -3.845436200e+00 -3.845436200e+00 2.32 -3.886372519e+00 -3.886372519e+00 2.34 -3.918049101e+00 -3.918049101e+00 2.36 -3.950467518e+00 -3.950467518e+00 2.38 -3.983087279e+00 -3.983087279e+00 2.40 -4.006108904e+00 -4.006108904e+00 2.42 -4.031888854e+00 -4.031888854e+00 2.44 -4.053818047e+00 -4.053818047e+00 2.46 -4.070088544e+00 -4.070088544e+00 2.48 -4.079466181e+00 -4.079466181e+00 2.50 -4.082169540e+00 -4.082169540e+00 2.52 -4.078259734e+00 -4.078259734e+00 2.54 -4.067627312e+00 -4.067627312e+00 2.56 -4.050310116e+00 -4.050310116e+00 2.58 -4.026508172e+00 -4.026508172e+00 2.60 -3.995503533e+00 -3.995503533e+00 2.62 -3.959509294e+00 -3.959509294e+00 2.64 -3.918661937e+00 -3.918661937e+00 2.66 -3.873692527e+00 -3.873692527e+00 2.68 -3.825110763e+00 -3.825110763e+00 2.70 -3.773279687e+00 -3.773279687e+00 2.72 -3.718496977e+00 -3.718496977e+00 2.74 -3.661044668e+00 -3.661044668e+00 2.76 -3.601280726e+00 -3.601280726e+00 2.78 -3.539618607e+00 -3.539618607e+00 2.80 -3.476489268e+00 -3.476489268e+00 2.82 -3.412240897e+00 -3.412240897e+00 2.84 -3.347069755e+00 -3.347069755e+00 2.86 -3.281043749e+00 -3.281043749e+00 2.88 -3.213918206e+00 -3.213918206e+00 2.90 -3.145427408e+00 -3.145427408e+00 2.92 -3.075539553e+00 -3.075539553e+00 2.94 -3.004161913e+00 -3.004161913e+00 2.96 -2.931016544e+00 -2.931016544e+00 2.98 -2.855934616e+00 -2.855934616e+00 3.00 -2.778669080e+00 -2.778669079e+00 3.02 -2.699488357e+00 -2.699488357e+00 3.04 -2.619471002e+00 -2.619471002e+00 3.06 -2.538990598e+00 -2.538990598e+00 3.08 -2.458627565e+00 -2.458627565e+00 3.10 -2.378814069e+00 -2.378814069e+00 3.12 -2.299921398e+00 -2.299921398e+00 3.14 -2.223676537e+00 -2.223676537e+00 3.16 -2.148915659e+00 -2.148915659e+00 3.18 -2.076909474e+00 -2.076909474e+00 3.20 -2.008171492e+00 -2.008171492e+00 3.22 -1.942910770e+00 -1.942910770e+00 3.24 -1.881066783e+00 -1.881066783e+00 3.26 -1.822331140e+00 -1.822331140e+00 3.28 -1.766182592e+00 -1.766182592e+00 3.30 -1.711959894e+00 -1.711959894e+00 3.32 -1.658966112e+00 -1.658966112e+00 3.34 -1.606585629e+00 -1.606585629e+00 3.36 -1.554429940e+00 -1.554429940e+00 3.38 -1.502395134e+00 -1.502395134e+00 3.40 -1.450628096e+00 -1.450628096e+00 3.42 -1.399496675e+00 -1.399496675e+00 3.44 -1.349458196e+00 -1.349458196e+00 3.46 -1.300956633e+00 -1.300956633e+00 3.48 -1.254349158e+00 -1.254349158e+00 3.50 -1.209864921e+00 -1.209864921e+00 3.52 -1.167595249e+00 -1.167595249e+00 3.54 -1.127509178e+00 -1.127509178e+00 3.56 -1.089484276e+00 -1.089484276e+00 3.58 -1.053346317e+00 -1.053346317e+00 3.60 -1.018897529e+00 -1.018897529e+00 3.62 -9.859241915e-01 -9.859241915e-01 3.64 -9.542026375e-01 -9.542026375e-01 3.66 -9.235260631e-01 -9.235260631e-01 3.68 -8.974165451e-01 -8.974165451e-01 3.70 -8.703626848e-01 -8.703626848e-01 3.72 -8.444380717e-01 -8.444380717e-01 3.74 -8.195278333e-01 -8.195278333e-01 3.76 -7.955130329e-01 -7.955130329e-01 3.78 -7.722707734e-01 -7.722707734e-01 3.80 -7.496741633e-01 -7.496741633e-01 3.82 -7.275922172e-01 -7.275922172e-01 3.84 -7.058892666e-01 -7.058892666e-01 3.86 -6.844328896e-01 -6.844328896e-01 3.88 -6.631589559e-01 -6.631589559e-01 3.90 -6.420381022e-01 -6.420381022e-01 3.92 -6.210389799e-01 -6.210389799e-01 3.94 -6.001315097e-01 -6.001315097e-01 3.96 -5.792907292e-01 -5.792907292e-01 3.98 -5.584929966e-01 -5.584929966e-01 4.00 -5.377155205e-01 -5.377155205e-01 4.02 -5.169367721e-01 -5.169367721e-01 4.04 -4.961369029e-01 -4.961369029e-01 4.06 -4.752981607e-01 -4.752981607e-01 4.08 -4.544050556e-01 -4.544050556e-01 4.10 -4.334449673e-01 -4.334449673e-01 4.12 -4.124081718e-01 -4.124081718e-01 4.14 -3.912788023e-01 -3.912788023e-01 4.16 -3.700291579e-01 -3.700291579e-01 4.18 -3.486343310e-01 -3.486343310e-01 4.20 -3.270808155e-01 -3.270808155e-01 4.22 -3.053973537e-01 -3.053973537e-01 4.24 -2.836304003e-01 -2.836304003e-01 4.26 -2.618316751e-01 -2.618316751e-01 4.28 -2.400582072e-01 -2.400582072e-01 4.30 -2.183727848e-01 -2.183727848e-01 4.32 -1.968411598e-01 -1.968411598e-01 4.34 -1.755119941e-01 -1.755119941e-01 4.36 -1.544614231e-01 -1.544614231e-01 4.38 -1.337928038e-01 -1.337928038e-01 4.40 -1.136192471e-01 -1.136192471e-01 4.42 -9.404854833e-02 -9.404854833e-02 4.44 -7.517283776e-02 -7.517283776e-02 4.46 -5.712866402e-02 -5.712866402e-02 4.48 -4.074464226e-02 -4.074464226e-02 4.50 -2.690003020e-02 -2.690003020e-02 4.52 -1.601989977e-02 -1.601989977e-02 4.54 -8.169066516e-03 -8.169066516e-03 4.56 -3.158680220e-03 -3.158680220e-03 4.58 -6.765284801e-04 -6.765284801e-04 4.60 -3.897245967e-04 -3.897245967e-04 4.62 -2.012290814e-03 -2.012290814e-03 4.64 -5.350424442e-03 -5.350424442e-03 4.66 -1.032477151e-02 -1.032477151e-02 4.68 -1.697037821e-02 -1.697037821e-02 4.70 -2.541566443e-02 -2.541566443e-02 4.72 -3.584208931e-02 -3.584208931e-02 4.74 -4.842966918e-02 -4.842966918e-02 4.76 -6.329199895e-02 -6.329199895e-02 4.78 -8.040200133e-02 -8.040200133e-02 4.80 -9.954364280e-02 -9.954364280e-02 4.82 -1.203003860e-01 -1.203003860e-01 4.84 -1.420492400e-01 -1.420492400e-01 4.86 -1.639961197e-01 -1.639961197e-01 4.88 -1.852321515e-01 -1.852321515e-01 4.90 -2.048092415e-01 -2.048092415e-01 4.92 -2.218142475e-01 -2.218142475e-01 4.94 -2.354370498e-01 -2.354370498e-01 4.96 -2.450188384e-01 -2.450188384e-01 4.98 -2.500683582e-01 -2.500683582e-01 5.00 -2.503004113e-01 -2.503004113e-01 5.02 -2.456422025e-01 -2.456422025e-01 5.04 -2.362137389e-01 -2.362137389e-01 5.06 -2.223075144e-01 -2.223075144e-01 5.08 -2.043705728e-01 -2.043705728e-01 5.10 -1.829949753e-01 -1.829949753e-01 5.12 -1.589019670e-01 -1.589019670e-01 5.14 -1.329184933e-01 -1.329184933e-01 5.16 -1.059502210e-01 -1.059502210e-01 5.18 -7.894424213e-02 -7.894424213e-02 5.20 -4.323249892e-02 -4.323249892e-02 5.22 -1.714463298e-02 -1.714463298e-02 5.24 5.879591086e-03 5.879591086e-03 5.26 2.499626811e-02 2.499626811e-02 5.28 3.965471650e-02 3.965471650e-02 5.30 4.963915139e-02 4.963915139e-02 5.32 5.507759142e-02 5.507759142e-02 5.34 5.641357867e-02 5.641357867e-02 5.36 5.434048795e-02 5.434048795e-02 5.38 4.970758871e-02 4.970758871e-02 5.40 4.341278933e-02 4.341278933e-02 5.42 3.630124751e-02 3.630124751e-02 5.44 2.908713682e-02 2.908713682e-02 5.46 2.230893332e-02 2.230893332e-02 5.48 1.631941631e-02 1.631941631e-02 5.50 1.130369013e-02 1.130369013e-02 5.52 7.313069472e-03 7.313069472e-03 5.54 4.301096441e-03 4.301096441e-03 5.56 2.155072728e-03 2.155072728e-03 5.58 7.314697080e-04 7.314697080e-04 5.60 -1.223223240e-04 -1.223223240e-04 5.62 -5.531043379e-04 -5.531043379e-04 5.64 -6.926575441e-04 -6.926575441e-04 5.66 -6.519756893e-04 -6.519756893e-04 5.68 -5.188718019e-04 -5.188718019e-04 5.70 -3.577385975e-04 -3.577385975e-04 5.72 -2.107773428e-04 -2.107773428e-04 5.74 -1.008289891e-04 -1.008289891e-04 5.76 -3.447381978e-05 -3.447381978e-05 5.78 -5.715396977e-06 -5.715396977e-06 5.80 -3.400526788e-08 -3.400526788e-08 5.82 1.825842117e-06 1.825842117e-06 5.84 2.047064370e-05 2.047064370e-05 5.86 7.654079772e-05 7.654079772e-05 5.88 1.906426721e-04 1.906426721e-04 5.90 3.834236561e-04 3.834236561e-04 5.92 6.755263483e-04 6.755263483e-04 5.94 1.087442429e-03 1.087442429e-03 5.96 1.639592276e-03 1.639592276e-03 5.98 2.352306339e-03 2.352306339e-03 6.00 1.519293832e-03 1.600987238e-03