# 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 = CrCu2Fe # 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 -4.627452260e+02 -4.627452260e+02 1.06 -4.365459850e+02 -4.365459850e+02 1.08 -4.119743199e+02 -4.119743199e+02 1.10 -3.887972618e+02 -3.887972618e+02 1.12 -3.662285787e+02 -3.662285787e+02 1.14 -3.441400080e+02 -3.441400080e+02 1.16 -3.231875837e+02 -3.231875837e+02 1.18 -3.034242566e+02 -3.034242566e+02 1.20 -2.857144619e+02 -2.857144619e+02 1.22 -2.701903795e+02 -2.701903795e+02 1.24 -2.559025576e+02 -2.559025576e+02 1.26 -2.421998296e+02 -2.421998296e+02 1.28 -2.297357163e+02 -2.297357163e+02 1.30 -2.179638788e+02 -2.179638788e+02 1.32 -2.066329065e+02 -2.066329065e+02 1.34 -1.953538045e+02 -1.953538045e+02 1.36 -1.845411172e+02 -1.845411172e+02 1.38 -1.742921043e+02 -1.742921043e+02 1.40 -1.649568138e+02 -1.649568138e+02 1.42 -1.559797995e+02 -1.559797995e+02 1.44 -1.469687875e+02 -1.469687875e+02 1.46 -1.380650308e+02 -1.380650308e+02 1.48 -1.290225066e+02 -1.290225066e+02 1.50 -1.201502078e+02 -1.201502078e+02 1.52 -1.116200372e+02 -1.116200372e+02 1.54 -1.034155110e+02 -1.034155110e+02 1.56 -9.534035596e+01 -9.534035596e+01 1.58 -8.717866642e+01 -8.717866642e+01 1.60 -7.870288744e+01 -7.870288744e+01 1.62 -6.984102515e+01 -6.984102515e+01 1.64 -6.096652174e+01 -6.096652174e+01 1.66 -5.258128824e+01 -5.258128824e+01 1.68 -4.475237476e+01 -4.475237476e+01 1.70 -3.757649429e+01 -3.757649429e+01 1.72 -3.104730195e+01 -3.104730195e+01 1.74 -2.527145868e+01 -2.527145868e+01 1.76 -2.026982140e+01 -2.026982140e+01 1.78 -1.583711917e+01 -1.583711917e+01 1.80 -1.193217214e+01 -1.193217214e+01 1.82 -8.517769953e+00 -8.517769953e+00 1.84 -5.908076561e+00 -5.908076561e+00 1.86 -3.989625317e+00 -3.989625317e+00 1.88 -2.664716484e+00 -2.664716484e+00 1.90 -1.804618539e+00 -1.804618539e+00 1.92 -1.281064972e+00 -1.281064972e+00 1.94 -9.946556479e-01 -9.946556479e-01 1.96 -8.829935206e-01 -8.829935206e-01 1.98 -9.023248291e-01 -9.023248291e-01 2.00 -1.032516956e+00 -1.032516726e+00 2.02 -1.245730948e+00 -1.245730948e+00 2.04 -1.496764571e+00 -1.496764571e+00 2.06 -1.776092715e+00 -1.776092715e+00 2.08 -2.065870092e+00 -2.065870092e+00 2.10 -2.348711101e+00 -2.348711101e+00 2.12 -2.608986602e+00 -2.608986602e+00 2.14 -2.843746375e+00 -2.843746375e+00 2.16 -3.033008511e+00 -3.033008511e+00 2.18 -3.180020613e+00 -3.180020613e+00 2.20 -3.289903700e+00 -3.289903700e+00 2.22 -3.371657012e+00 -3.371657012e+00 2.24 -3.434256563e+00 -3.434256563e+00 2.26 -3.484542244e+00 -3.484542244e+00 2.28 -3.528921814e+00 -3.528921814e+00 2.30 -3.574118979e+00 -3.574118979e+00 2.32 -3.621850307e+00 -3.621850307e+00 2.34 -3.677043569e+00 -3.677043569e+00 2.36 -3.721327875e+00 -3.721327875e+00 2.38 -3.755611458e+00 -3.755611458e+00 2.40 -3.784478174e+00 -3.784478174e+00 2.42 -3.797426404e+00 -3.797426404e+00 2.44 -3.799667114e+00 -3.799667114e+00 2.46 -3.793690270e+00 -3.793690270e+00 2.48 -3.781622199e+00 -3.781622199e+00 2.50 -3.765177641e+00 -3.765177641e+00 2.52 -3.745218927e+00 -3.745218927e+00 2.54 -3.721963893e+00 -3.721963893e+00 2.56 -3.695956942e+00 -3.695956942e+00 2.58 -3.667866741e+00 -3.667866741e+00 2.60 -3.639550863e+00 -3.639550863e+00 2.62 -3.610241155e+00 -3.610241155e+00 2.64 -3.581044776e+00 -3.581044776e+00 2.66 -3.552368281e+00 -3.552368281e+00 2.68 -3.524264804e+00 -3.524264804e+00 2.70 -3.496545324e+00 -3.496545324e+00 2.72 -3.468899090e+00 -3.468899090e+00 2.74 -3.440907764e+00 -3.440907764e+00 2.76 -3.412049694e+00 -3.412049694e+00 2.78 -3.381716074e+00 -3.381716074e+00 2.80 -3.349084042e+00 -3.349084042e+00 2.82 -3.313260998e+00 -3.313260998e+00 2.84 -3.273533629e+00 -3.273533629e+00 2.86 -3.229772802e+00 -3.229772802e+00 2.88 -3.182436221e+00 -3.182436221e+00 2.90 -3.132098258e+00 -3.132098258e+00 2.92 -3.079777948e+00 -3.079777948e+00 2.94 -3.026675875e+00 -3.026675875e+00 2.96 -2.973658351e+00 -2.973658351e+00 2.98 -2.921250794e+00 -2.921250794e+00 3.00 -2.871028741e+00 -2.871028741e+00 3.02 -2.823348288e+00 -2.823348288e+00 3.04 -2.771818150e+00 -2.771818150e+00 3.06 -2.712404437e+00 -2.712404437e+00 3.08 -2.640071547e+00 -2.640071547e+00 3.10 -2.549524625e+00 -2.549524625e+00 3.12 -2.435171148e+00 -2.435171148e+00 3.14 -2.316295374e+00 -2.316295374e+00 3.16 -2.162669369e+00 -2.162669369e+00 3.18 -1.984125144e+00 -1.984125144e+00 3.20 -1.781270968e+00 -1.781270968e+00 3.22 -1.563174313e+00 -1.563174313e+00 3.24 -1.341578021e+00 -1.341578021e+00 3.26 -1.126409149e+00 -1.126409149e+00 3.28 -9.254813783e-01 -9.254813783e-01 3.30 -7.441151691e-01 -7.441151691e-01 3.32 -5.848783742e-01 -5.848783742e-01 3.34 -4.476963451e-01 -4.476963451e-01 3.36 -3.305113685e-01 -3.305113685e-01 3.38 -2.301623440e-01 -2.301623440e-01 3.40 -1.432064514e-01 -1.432064514e-01 3.42 -6.655533573e-02 -6.655533573e-02 3.44 2.155726872e-03 2.155726872e-03 3.46 6.456957140e-02 6.456957140e-02 3.48 1.217944070e-01 1.217944070e-01 3.50 1.746271579e-01 1.746271579e-01 3.52 2.237338026e-01 2.237338026e-01 3.54 2.697581643e-01 2.697581643e-01 3.56 3.133602489e-01 3.133602489e-01 3.58 3.551963456e-01 3.551963456e-01 3.60 3.958866913e-01 3.958866913e-01 3.62 4.360091002e-01 4.360091002e-01 3.64 4.760967888e-01 4.760967888e-01 3.66 5.166231348e-01 5.166231348e-01 3.68 5.467801664e-01 5.467801664e-01 3.70 5.827214166e-01 5.827214166e-01 3.72 6.179473610e-01 6.179473610e-01 3.74 6.524158788e-01 6.524158788e-01 3.76 6.860537202e-01 6.860537202e-01 3.78 7.187566675e-01 7.187566675e-01 3.80 7.503876110e-01 7.503876110e-01 3.82 7.807721094e-01 7.807721094e-01 3.84 8.096911563e-01 8.096911563e-01 3.86 8.368815647e-01 8.368815647e-01 3.88 8.621144514e-01 8.621144514e-01 3.90 8.851873704e-01 8.851873704e-01 3.92 9.058930977e-01 9.058930977e-01 3.94 9.240208035e-01 9.240208035e-01 3.96 9.393549684e-01 9.393549684e-01 3.98 9.512361747e-01 9.512361747e-01 4.00 9.571911416e-01 9.571911416e-01 4.02 9.549343668e-01 9.549343668e-01 4.04 9.429587509e-01 9.429587509e-01 4.06 9.204456058e-01 9.204456058e-01 4.08 8.871776037e-01 8.871776037e-01 4.10 8.434527181e-01 8.434527181e-01 4.12 7.900009334e-01 7.900009334e-01 4.14 7.279026258e-01 7.279026258e-01 4.16 6.585088175e-01 6.585088175e-01 4.18 5.833637442e-01 5.833637442e-01 4.20 5.041271701e-01 5.041271701e-01 4.22 4.224884891e-01 4.224884891e-01 4.24 3.401052912e-01 3.401052912e-01 4.26 2.585397250e-01 2.585397250e-01 4.28 1.791923465e-01 1.791923465e-01 4.30 1.032394924e-01 1.032394924e-01 4.32 3.157632318e-02 3.157632318e-02 4.34 -3.523501331e-02 -3.523501331e-02 4.36 -9.700733457e-02 -9.700733457e-02 4.38 -1.539583222e-01 -1.539583222e-01 4.40 -2.067237011e-01 -2.067237011e-01 4.42 -2.537847783e-01 -2.537847783e-01 4.44 -2.706943920e-01 -2.706943920e-01 4.46 -2.243691658e-01 -2.243691658e-01 4.48 -8.640128151e-02 -8.640128151e-02 4.50 1.665800462e-01 1.665800462e-01 4.52 5.528205900e-01 5.528205900e-01 4.54 1.085435374e+00 1.085435374e+00 4.56 1.773724568e+00 1.773724568e+00 4.58 2.624840720e+00 2.624840720e+00 4.60 3.644880607e+00 3.644880607e+00 4.62 4.838041808e+00 4.838041808e+00 4.64 6.206614107e+00 6.206614107e+00 4.66 7.750736681e+00 7.750736681e+00 4.68 9.467764725e+00 9.467764725e+00 4.70 1.135134423e+01 1.135134423e+01 4.72 1.339012637e+01 1.339012637e+01 4.74 1.556665893e+01 1.556665893e+01 4.76 1.785687554e+01 1.785687554e+01 4.78 2.022935249e+01 2.022935249e+01 4.80 2.264516470e+01 2.264516470e+01 4.82 2.505831775e+01 2.505831775e+01 4.84 2.741684389e+01 2.741684389e+01 4.86 2.966450476e+01 2.966450476e+01 4.88 3.174280238e+01 3.174280238e+01 4.90 3.359325868e+01 3.359325868e+01 4.92 3.515963089e+01 3.515963089e+01 4.94 3.639012215e+01 3.639012215e+01 4.96 3.723936805e+01 3.723936805e+01 4.98 3.767025160e+01 3.767025160e+01 5.00 3.765556165e+01 3.765556165e+01 5.02 3.717938034e+01 3.717938034e+01 5.04 3.623836097e+01 3.623836097e+01 5.06 3.484273753e+01 3.484273753e+01 5.08 3.301722014e+01 3.301722014e+01 5.10 3.080165444e+01 3.080165444e+01 5.12 2.825099768e+01 2.825099768e+01 5.14 2.543453792e+01 2.543453792e+01 5.16 2.243411321e+01 2.243411321e+01 5.18 1.934125329e+01 1.934125329e+01 5.20 1.627683847e+01 1.627683847e+01 5.22 1.329608215e+01 1.329608215e+01 5.24 1.051490088e+01 1.051490088e+01 5.26 8.015380521e+00 8.015380521e+00 5.28 5.856441987e+00 5.856441987e+00 5.30 4.070180639e+00 4.070180639e+00 5.32 2.660872349e+00 2.660872349e+00 5.34 1.607035247e+00 1.607035247e+00 5.36 8.664730199e-01 8.664730199e-01 5.38 3.835868105e-01 3.835868105e-01 5.40 9.766604931e-02 9.766604931e-02 5.42 -4.940070810e-02 -4.940070810e-02 5.44 -1.073520313e-01 -1.073520313e-01 5.46 -1.144932017e-01 -1.144932017e-01 5.48 -9.731889429e-02 -9.731889429e-02 5.50 -7.212638465e-02 -7.212638465e-02 5.52 -4.761300763e-02 -4.761300763e-02 5.54 -2.752907119e-02 -2.752907119e-02 5.56 -1.281688188e-02 -1.281688188e-02 5.58 -3.067961197e-03 -3.067961197e-03 5.60 2.644243265e-03 2.644243265e-03 5.62 5.349597692e-03 5.349597692e-03 5.64 6.002350383e-03 6.002350383e-03 5.66 5.409544722e-03 5.409544722e-03 5.68 4.207686559e-03 4.207686559e-03 5.70 2.861183094e-03 2.861183094e-03 5.72 1.671032061e-03 1.671032061e-03 5.74 7.946299977e-04 7.946299977e-04 5.76 2.705121247e-04 2.705121247e-04 5.78 4.471001915e-05 4.471001915e-05 5.80 1.679852776e-07 1.679852776e-07 5.82 -1.437991878e-05 -1.437991878e-05 5.84 -1.603693168e-04 -1.603693168e-04 5.86 -5.991600855e-04 -5.991600855e-04 5.88 -1.492133102e-03 -1.492133102e-03 5.90 -2.999593664e-03 -2.999593664e-03 5.92 -5.280622897e-03 -5.280622897e-03 5.94 -8.490037392e-03 -8.490037392e-03 5.96 -1.277537450e-02 -1.277537450e-02 5.98 -1.826992407e-02 -1.826992407e-02 6.00 -1.232227975e-02 -1.193097783e-02