# 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 = CoCrFe2 # 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 -5.597001106e+02 -5.597001106e+02 1.06 -5.277033824e+02 -5.277033824e+02 1.08 -4.981005835e+02 -4.981005835e+02 1.10 -4.703857795e+02 -4.703857795e+02 1.12 -4.443159022e+02 -4.443159022e+02 1.14 -4.198004007e+02 -4.198004007e+02 1.16 -3.966821344e+02 -3.966821344e+02 1.18 -3.746391279e+02 -3.746391279e+02 1.20 -3.533424629e+02 -3.533424629e+02 1.22 -3.328348050e+02 -3.328348050e+02 1.24 -3.135258310e+02 -3.135258310e+02 1.26 -2.958737255e+02 -2.958737255e+02 1.28 -2.797391591e+02 -2.797391591e+02 1.30 -2.650322078e+02 -2.650322078e+02 1.32 -2.514759395e+02 -2.514759395e+02 1.34 -2.388493993e+02 -2.388493993e+02 1.36 -2.268258335e+02 -2.268258335e+02 1.38 -2.151443007e+02 -2.151443007e+02 1.40 -2.035808409e+02 -2.035808409e+02 1.42 -1.922120484e+02 -1.922120484e+02 1.44 -1.810769873e+02 -1.810769873e+02 1.46 -1.700748585e+02 -1.700748585e+02 1.48 -1.591998640e+02 -1.591998640e+02 1.50 -1.483947858e+02 -1.483947858e+02 1.52 -1.376791183e+02 -1.376791183e+02 1.54 -1.271355484e+02 -1.271355484e+02 1.56 -1.168991239e+02 -1.168991239e+02 1.58 -1.071203012e+02 -1.071203012e+02 1.60 -9.799207725e+01 -9.799207725e+01 1.62 -8.952850169e+01 -8.952850169e+01 1.64 -8.165453086e+01 -8.165453086e+01 1.66 -7.425580408e+01 -7.425580408e+01 1.68 -6.734293392e+01 -6.734293392e+01 1.70 -6.083224139e+01 -6.083224139e+01 1.72 -5.465639130e+01 -5.465639130e+01 1.74 -4.871177265e+01 -4.871177265e+01 1.76 -4.300710050e+01 -4.300710050e+01 1.78 -3.754133346e+01 -3.754133346e+01 1.80 -3.232801234e+01 -3.232801234e+01 1.82 -2.738813852e+01 -2.738813852e+01 1.84 -2.271595864e+01 -2.271595864e+01 1.86 -1.830953892e+01 -1.830953892e+01 1.88 -1.424962631e+01 -1.424962631e+01 1.90 -1.086622632e+01 -1.086622632e+01 1.92 -8.141822592e+00 -8.141822592e+00 1.94 -6.144840309e+00 -6.144840309e+00 1.96 -4.730580845e+00 -4.730580845e+00 1.98 -3.752936507e+00 -3.752936507e+00 2.00 -3.094927616e+00 -3.094927827e+00 2.02 -2.677085487e+00 -2.677085487e+00 2.04 -2.448255143e+00 -2.448255143e+00 2.06 -2.362468555e+00 -2.362468555e+00 2.08 -2.383360408e+00 -2.383360408e+00 2.10 -2.479354318e+00 -2.479354318e+00 2.12 -2.623349957e+00 -2.623349957e+00 2.14 -2.796322602e+00 -2.796322602e+00 2.16 -2.977223655e+00 -2.977223655e+00 2.18 -3.156180955e+00 -3.156180955e+00 2.20 -3.324963867e+00 -3.324963867e+00 2.22 -3.479935934e+00 -3.479935934e+00 2.24 -3.621777885e+00 -3.621777885e+00 2.26 -3.750150501e+00 -3.750150501e+00 2.28 -3.863876246e+00 -3.863876246e+00 2.30 -3.962153713e+00 -3.962153713e+00 2.32 -4.044555588e+00 -4.044555588e+00 2.34 -4.116519260e+00 -4.116519260e+00 2.36 -4.170762967e+00 -4.170762967e+00 2.38 -4.210942670e+00 -4.210942670e+00 2.40 -4.239395739e+00 -4.239395739e+00 2.42 -4.256860759e+00 -4.256860759e+00 2.44 -4.265089247e+00 -4.265089247e+00 2.46 -4.265318699e+00 -4.265318699e+00 2.48 -4.258718917e+00 -4.258718917e+00 2.50 -4.246207270e+00 -4.246207270e+00 2.52 -4.228107836e+00 -4.228107836e+00 2.54 -4.204486148e+00 -4.204486148e+00 2.56 -4.175444415e+00 -4.175444415e+00 2.58 -4.141005173e+00 -4.141005173e+00 2.60 -4.101399046e+00 -4.101399046e+00 2.62 -4.056969988e+00 -4.056969988e+00 2.64 -4.008489191e+00 -4.008489191e+00 2.66 -3.956622345e+00 -3.956622345e+00 2.68 -3.901804925e+00 -3.901804925e+00 2.70 -3.844274389e+00 -3.844274389e+00 2.72 -3.784129998e+00 -3.784129998e+00 2.74 -3.721363452e+00 -3.721363452e+00 2.76 -3.655985109e+00 -3.655985109e+00 2.78 -3.588237395e+00 -3.588237395e+00 2.80 -3.518627106e+00 -3.518627106e+00 2.82 -3.447973248e+00 -3.447973248e+00 2.84 -3.377349222e+00 -3.377349222e+00 2.86 -3.308019195e+00 -3.308019195e+00 2.88 -3.241165186e+00 -3.241165186e+00 2.90 -3.177858422e+00 -3.177858422e+00 2.92 -3.118986236e+00 -3.118986236e+00 2.94 -3.065273504e+00 -3.065273504e+00 2.96 -3.017243917e+00 -3.017243917e+00 2.98 -2.975279354e+00 -2.975279354e+00 3.00 -2.939694787e+00 -2.939694787e+00 3.02 -2.904409588e+00 -2.904409588e+00 3.04 -2.858747121e+00 -2.858747121e+00 3.06 -2.794596870e+00 -2.794596870e+00 3.08 -2.702946751e+00 -2.702946751e+00 3.10 -2.574662156e+00 -2.574662156e+00 3.12 -2.400656804e+00 -2.400656804e+00 3.14 -2.180847712e+00 -2.180847712e+00 3.16 -1.900041562e+00 -1.900041562e+00 3.18 -1.557061140e+00 -1.557061140e+00 3.20 -1.160246718e+00 -1.160246718e+00 3.22 -7.338049353e-01 -7.338049353e-01 3.24 -3.018574666e-01 -3.018574666e-01 3.26 1.137356071e-01 1.137356071e-01 3.28 4.947138554e-01 4.947138554e-01 3.30 8.279602510e-01 8.279602510e-01 3.32 1.106667941e+00 1.106667941e+00 3.34 1.330497455e+00 1.330497455e+00 3.36 1.504447788e+00 1.504447788e+00 3.38 1.636703307e+00 1.636703307e+00 3.40 1.736313795e+00 1.736313795e+00 3.42 1.811485768e+00 1.811485768e+00 3.44 1.868719884e+00 1.868719884e+00 3.46 1.912730504e+00 1.912730504e+00 3.48 1.946806291e+00 1.946806291e+00 3.50 1.973296280e+00 1.973296280e+00 3.52 1.994032965e+00 1.994032965e+00 3.54 2.010614874e+00 2.010614874e+00 3.56 2.024536382e+00 2.024536382e+00 3.58 2.037188431e+00 2.037188431e+00 3.60 2.049809674e+00 2.049809674e+00 3.62 2.063468434e+00 2.063468434e+00 3.64 2.079061244e+00 2.079061244e+00 3.66 2.097314679e+00 2.097314679e+00 3.68 2.103904504e+00 2.103904504e+00 3.70 2.120146337e+00 2.120146337e+00 3.72 2.137311675e+00 2.137311675e+00 3.74 2.155162563e+00 2.155162563e+00 3.76 2.173389883e+00 2.173389883e+00 3.78 2.191632156e+00 2.191632156e+00 3.80 2.209490578e+00 2.209490578e+00 3.82 2.226541698e+00 2.226541698e+00 3.84 2.242346883e+00 2.242346883e+00 3.86 2.256481132e+00 2.256481132e+00 3.88 2.268722021e+00 2.268722021e+00 3.90 2.278938024e+00 2.278938024e+00 3.92 2.286825227e+00 2.286825227e+00 3.94 2.292181511e+00 2.292181511e+00 3.96 2.295047527e+00 2.295047527e+00 3.98 2.295559588e+00 2.295559588e+00 4.00 2.293880801e+00 2.293880801e+00 4.02 2.290159309e+00 2.290159309e+00 4.04 2.284501762e+00 2.284501762e+00 4.06 2.276959909e+00 2.276959909e+00 4.08 2.267525306e+00 2.267525306e+00 4.10 2.256133589e+00 2.256133589e+00 4.12 2.242671633e+00 2.242671633e+00 4.14 2.226981540e+00 2.226981540e+00 4.16 2.208868832e+00 2.208868832e+00 4.18 2.188127280e+00 2.188127280e+00 4.20 2.164551143e+00 2.164551143e+00 4.22 2.137936080e+00 2.137936080e+00 4.24 2.108095334e+00 2.108095334e+00 4.26 2.074870574e+00 2.074870574e+00 4.28 2.038127832e+00 2.038127832e+00 4.30 1.997651852e+00 1.997651852e+00 4.32 1.953140097e+00 1.953140097e+00 4.34 1.904256800e+00 1.904256800e+00 4.36 1.850632437e+00 1.850632437e+00 4.38 1.791865749e+00 1.791865749e+00 4.40 1.727527829e+00 1.727527829e+00 4.42 1.657171879e+00 1.657171879e+00 4.44 1.580345977e+00 1.580345977e+00 4.46 1.496616135e+00 1.496616135e+00 4.48 1.405593584e+00 1.405593584e+00 4.50 1.306978160e+00 1.306978160e+00 4.52 1.200619952e+00 1.200619952e+00 4.54 1.086705272e+00 1.086705272e+00 4.56 9.657983386e-01 9.657983386e-01 4.58 8.388416047e-01 8.388416047e-01 4.60 7.071985322e-01 7.071985322e-01 4.62 5.726701775e-01 5.726701775e-01 4.64 4.374527605e-01 4.374527605e-01 4.66 3.040335598e-01 3.040335598e-01 4.68 1.750184909e-01 1.750184909e-01 4.70 5.290683392e-02 5.290683392e-02 4.72 -6.015302407e-02 -6.015302407e-02 4.74 -1.614852972e-01 -1.614852972e-01 4.76 -2.434695511e-01 -2.434695511e-01 4.78 -3.028799978e-01 -3.028799978e-01 4.80 -3.415026007e-01 -3.415026007e-01 4.82 -3.633535285e-01 -3.633535285e-01 4.84 -3.728135987e-01 -3.728135987e-01 4.86 -3.736513580e-01 -3.736513580e-01 4.88 -3.687079931e-01 -3.687079931e-01 4.90 -3.599661475e-01 -3.599661475e-01 4.92 -3.487781605e-01 -3.487781605e-01 4.94 -3.361208559e-01 -3.361208559e-01 4.96 -3.228048045e-01 -3.228048045e-01 4.98 -3.096175614e-01 -3.096175614e-01 5.00 -2.973897601e-01 -2.973897601e-01 5.02 -2.869887840e-01 -2.869887840e-01 5.04 -2.792534104e-01 -2.792534104e-01 5.06 -2.748792994e-01 -2.748792994e-01 5.08 -2.743141789e-01 -2.743141789e-01 5.10 -2.776711223e-01 -2.776711223e-01 5.12 -2.846512370e-01 -2.846512370e-01 5.14 -2.944893408e-01 -2.944893408e-01 5.16 -3.059303761e-01 -3.059303761e-01 5.18 -3.172484274e-01 -3.172484274e-01 5.20 -3.173993946e-01 -3.173993946e-01 5.22 -3.235461670e-01 -3.235461670e-01 5.24 -3.257035909e-01 -3.257035909e-01 5.26 -3.226950921e-01 -3.226950921e-01 5.28 -3.137632521e-01 -3.137632521e-01 5.30 -2.986663422e-01 -2.986663422e-01 5.32 -2.777201109e-01 -2.777201109e-01 5.34 -2.517711331e-01 -2.517711331e-01 5.36 -2.220994673e-01 -2.220994673e-01 5.38 -1.902650344e-01 -1.902650344e-01 5.40 -1.579195252e-01 -1.579195252e-01 5.42 -1.266191671e-01 -1.266191671e-01 5.44 -9.767102996e-02 -9.767102996e-02 5.46 -7.203480880e-02 -7.203480880e-02 5.48 -5.028561337e-02 -5.028561337e-02 5.50 -3.263363397e-02 -3.263363397e-02 5.52 -1.898123236e-02 -1.898123236e-02 5.54 -8.996381782e-03 -8.996381782e-03 5.56 -2.189810465e-03 -2.189810465e-03 5.58 2.006935448e-03 2.006935448e-03 5.60 4.182632640e-03 4.182632640e-03 5.62 4.899510860e-03 4.899510860e-03 5.64 4.657644097e-03 4.657644097e-03 5.66 3.875303098e-03 3.875303098e-03 5.68 2.879177918e-03 2.879177918e-03 5.70 1.901994497e-03 1.901994497e-03 5.72 1.089630128e-03 1.089630128e-03 5.74 5.117364149e-04 5.117364149e-04 5.76 1.728094783e-04 1.728094783e-04 5.78 2.849007722e-05 2.849007722e-05 5.80 1.911457590e-07 1.911457590e-07 5.82 -9.090322204e-06 -9.090322204e-06 5.84 -1.017917331e-04 -1.017917331e-04 5.86 -3.802801724e-04 -3.802801724e-04 5.88 -9.470972121e-04 -9.470972121e-04 5.90 -1.904694056e-03 -1.904694056e-03 5.92 -3.355588013e-03 -3.355588013e-03 5.94 -5.401341462e-03 -5.401341462e-03 5.96 -8.143222700e-03 -8.143222700e-03 5.98 -1.168237159e-02 -1.168237159e-02 6.00 -7.627199007e-03 -7.869218602e-03