# 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 = Cr2FeNi # 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 -4.339320330e+02 -4.339320330e+02 1.06 -4.087125727e+02 -4.087125727e+02 1.08 -3.854382557e+02 -3.854382557e+02 1.10 -3.638299067e+02 -3.638299067e+02 1.12 -3.436905242e+02 -3.436905242e+02 1.14 -3.248746282e+02 -3.248746282e+02 1.16 -3.070136159e+02 -3.070136159e+02 1.18 -2.900158903e+02 -2.900158903e+02 1.20 -2.737483168e+02 -2.737483168e+02 1.22 -2.582061476e+02 -2.582061476e+02 1.24 -2.436244136e+02 -2.436244136e+02 1.26 -2.302288875e+02 -2.302288875e+02 1.28 -2.177907963e+02 -2.177907963e+02 1.30 -2.062584216e+02 -2.062584216e+02 1.32 -1.954322559e+02 -1.954322559e+02 1.34 -1.852177062e+02 -1.852177062e+02 1.36 -1.753917990e+02 -1.753917990e+02 1.38 -1.658871697e+02 -1.658871697e+02 1.40 -1.565068144e+02 -1.565068144e+02 1.42 -1.473173825e+02 -1.473173825e+02 1.44 -1.382988341e+02 -1.382988341e+02 1.46 -1.293401628e+02 -1.293401628e+02 1.48 -1.205094706e+02 -1.205094706e+02 1.50 -1.117563319e+02 -1.117563319e+02 1.52 -1.030764754e+02 -1.030764754e+02 1.54 -9.450626893e+01 -9.450626893e+01 1.56 -8.611458893e+01 -8.611458893e+01 1.58 -7.798197969e+01 -7.798197969e+01 1.60 -7.021374109e+01 -7.021374109e+01 1.62 -6.289492565e+01 -6.289492565e+01 1.64 -5.602042029e+01 -5.602042029e+01 1.66 -4.953676794e+01 -4.953676794e+01 1.68 -4.351250764e+01 -4.351250764e+01 1.70 -3.789814810e+01 -3.789814810e+01 1.72 -3.266527223e+01 -3.266527223e+01 1.74 -2.775138881e+01 -2.775138881e+01 1.76 -2.313353064e+01 -2.313353064e+01 1.78 -1.884193474e+01 -1.884193474e+01 1.80 -1.486770004e+01 -1.486770004e+01 1.82 -1.134074831e+01 -1.134074831e+01 1.84 -8.334401566e+00 -8.334401566e+00 1.86 -6.109809891e+00 -6.109809891e+00 1.88 -4.529322718e+00 -4.529322718e+00 1.90 -3.442216569e+00 -3.442216569e+00 1.92 -2.729381731e+00 -2.729381731e+00 1.94 -2.297714782e+00 -2.297714782e+00 1.96 -2.073537121e+00 -2.073537121e+00 1.98 -1.997227091e+00 -1.997227091e+00 2.00 -2.018440989e+00 -2.018441080e+00 2.02 -2.103382485e+00 -2.103382485e+00 2.04 -2.235813085e+00 -2.235813085e+00 2.06 -2.395058502e+00 -2.395058502e+00 2.08 -2.568228527e+00 -2.568228527e+00 2.10 -2.746715714e+00 -2.746715714e+00 2.12 -2.927960630e+00 -2.927960630e+00 2.14 -3.098968502e+00 -3.098968502e+00 2.16 -3.266900214e+00 -3.266900214e+00 2.18 -3.422100994e+00 -3.422100994e+00 2.20 -3.561827434e+00 -3.561827434e+00 2.22 -3.685741167e+00 -3.685741167e+00 2.24 -3.795545111e+00 -3.795545111e+00 2.26 -3.892233998e+00 -3.892233998e+00 2.28 -3.976698405e+00 -3.976698405e+00 2.30 -4.049282175e+00 -4.049282175e+00 2.32 -4.110331106e+00 -4.110331106e+00 2.34 -4.154433949e+00 -4.154433949e+00 2.36 -4.190309416e+00 -4.190309416e+00 2.38 -4.216100096e+00 -4.216100096e+00 2.40 -4.227258200e+00 -4.227258200e+00 2.42 -4.232603315e+00 -4.232603315e+00 2.44 -4.230511762e+00 -4.230511762e+00 2.46 -4.221915985e+00 -4.221915985e+00 2.48 -4.207500583e+00 -4.207500583e+00 2.50 -4.188191289e+00 -4.188191289e+00 2.52 -4.164677269e+00 -4.164677269e+00 2.54 -4.137083069e+00 -4.137083069e+00 2.56 -4.105511815e+00 -4.105511815e+00 2.58 -4.070103447e+00 -4.070103447e+00 2.60 -4.030111470e+00 -4.030111470e+00 2.62 -3.987112470e+00 -3.987112470e+00 2.64 -3.940895730e+00 -3.940895730e+00 2.66 -3.891730042e+00 -3.891730042e+00 2.68 -3.839733667e+00 -3.839733667e+00 2.70 -3.784966640e+00 -3.784966640e+00 2.72 -3.727519930e+00 -3.727519930e+00 2.74 -3.667495413e+00 -3.667495413e+00 2.76 -3.605005074e+00 -3.605005074e+00 2.78 -3.540329414e+00 -3.540329414e+00 2.80 -3.473967951e+00 -3.473967951e+00 2.82 -3.406538740e+00 -3.406538740e+00 2.84 -3.338699977e+00 -3.338699977e+00 2.86 -3.271089474e+00 -3.271089474e+00 2.88 -3.204217206e+00 -3.204217206e+00 2.90 -3.138238035e+00 -3.138238035e+00 2.92 -3.073306097e+00 -3.073306097e+00 2.94 -3.009604949e+00 -3.009604949e+00 2.96 -2.947243640e+00 -2.947243640e+00 2.98 -2.886167213e+00 -2.886167213e+00 3.00 -2.825542254e+00 -2.825542254e+00 3.02 -2.763204194e+00 -2.763204194e+00 3.04 -2.697244043e+00 -2.697244043e+00 3.06 -2.623867971e+00 -2.623867971e+00 3.08 -2.540088124e+00 -2.540088124e+00 3.10 -2.442980748e+00 -2.442980748e+00 3.12 -2.329973367e+00 -2.329973367e+00 3.14 -2.192149698e+00 -2.192149698e+00 3.16 -2.036313833e+00 -2.036313833e+00 3.18 -1.857292768e+00 -1.857292768e+00 3.20 -1.653650171e+00 -1.653650171e+00 3.22 -1.426960703e+00 -1.426960703e+00 3.24 -1.186418175e+00 -1.186418175e+00 3.26 -9.422888166e-01 -9.422888166e-01 3.28 -7.041032620e-01 -7.041032620e-01 3.30 -4.799108183e-01 -4.799108183e-01 3.32 -2.755225802e-01 -2.755225802e-01 3.34 -9.405396169e-02 -9.405396169e-02 3.36 6.393327994e-02 6.393327994e-02 3.38 1.998663477e-01 1.998663477e-01 3.40 3.163379993e-01 3.163379993e-01 3.42 4.162012161e-01 4.162012161e-01 3.44 5.020264321e-01 5.020264321e-01 3.46 5.758369116e-01 5.758369116e-01 3.48 6.390878913e-01 6.390878913e-01 3.50 6.927903611e-01 6.927903611e-01 3.52 7.376820909e-01 7.376820909e-01 3.54 7.743847313e-01 7.743847313e-01 3.56 8.035129688e-01 8.035129688e-01 3.58 8.257228771e-01 8.257228771e-01 3.60 8.417128911e-01 8.417128911e-01 3.62 8.522133339e-01 8.522133339e-01 3.64 8.579741825e-01 8.579741825e-01 3.66 8.597394152e-01 8.597394152e-01 3.68 8.542741174e-01 8.542741174e-01 3.70 8.470042297e-01 8.470042297e-01 3.72 8.363156763e-01 8.363156763e-01 3.74 8.224910166e-01 8.224910166e-01 3.76 8.057606198e-01 8.057606198e-01 3.78 7.863037963e-01 7.863037963e-01 3.80 7.642499442e-01 7.642499442e-01 3.82 7.396793622e-01 7.396793622e-01 3.84 7.126248840e-01 7.126248840e-01 3.86 6.830877925e-01 6.830877925e-01 3.88 6.511724428e-01 6.511724428e-01 3.90 6.170492857e-01 6.170492857e-01 3.92 5.808921980e-01 5.808921980e-01 3.94 5.428755766e-01 5.428755766e-01 3.96 5.031727820e-01 5.031727820e-01 3.98 4.619577417e-01 4.619577417e-01 4.00 4.194050646e-01 4.194050646e-01 4.02 3.756898643e-01 3.756898643e-01 4.04 3.309871962e-01 3.309871962e-01 4.06 2.854794838e-01 2.854794838e-01 4.08 2.393428697e-01 2.393428697e-01 4.10 1.927491305e-01 1.927491305e-01 4.12 1.458677678e-01 1.458677678e-01 4.14 9.887360394e-02 9.887360394e-02 4.16 5.194980448e-02 5.194980448e-02 4.18 5.281730474e-03 5.281730474e-03 4.20 -4.069151578e-02 -4.069151578e-02 4.22 -8.222755854e-02 -8.222755854e-02 4.24 -1.146475917e-01 -1.146475917e-01 4.26 -1.344453395e-01 -1.344453395e-01 4.28 -1.391930504e-01 -1.391930504e-01 4.30 -1.274365398e-01 -1.274365398e-01 4.32 -9.858569780e-02 -9.858569780e-02 4.34 -5.281543984e-02 -5.281543984e-02 4.36 9.032918585e-03 9.032918585e-03 4.38 8.554759354e-02 8.554759354e-02 4.40 1.748438383e-01 1.748438383e-01 4.42 2.746535162e-01 2.746535162e-01 4.44 3.824185354e-01 3.824185354e-01 4.46 4.953713547e-01 4.953713547e-01 4.48 6.106256547e-01 6.106256547e-01 4.50 7.252496940e-01 7.252496940e-01 4.52 8.363393487e-01 8.363393487e-01 4.54 9.411987987e-01 9.411987987e-01 4.56 1.038039795e+00 1.038039795e+00 4.58 1.125570359e+00 1.125570359e+00 4.60 1.202776847e+00 1.202776847e+00 4.62 1.268859017e+00 1.268859017e+00 4.64 1.323162204e+00 1.323162204e+00 4.66 1.365128293e+00 1.365128293e+00 4.68 1.394264851e+00 1.394264851e+00 4.70 1.410177186e+00 1.410177186e+00 4.72 1.412628990e+00 1.412628990e+00 4.74 1.401610007e+00 1.401610007e+00 4.76 1.377417193e+00 1.377417193e+00 4.78 1.340689077e+00 1.340689077e+00 4.80 1.292392006e+00 1.292392006e+00 4.82 1.233747634e+00 1.233747634e+00 4.84 1.166169351e+00 1.166169351e+00 4.86 1.091183770e+00 1.091183770e+00 4.88 1.010350515e+00 1.010350515e+00 4.90 9.252097046e-01 9.252097046e-01 4.92 8.372508973e-01 8.372508973e-01 4.94 7.478751009e-01 7.478751009e-01 4.96 6.583984458e-01 6.583984458e-01 4.98 5.700387148e-01 5.700387148e-01 5.00 4.839119487e-01 4.839119487e-01 5.02 4.010300150e-01 4.010300150e-01 5.04 3.223004259e-01 3.223004259e-01 5.06 2.485233142e-01 2.485233142e-01 5.08 1.803825445e-01 1.803825445e-01 5.10 1.184443506e-01 1.184443506e-01 5.12 6.314887899e-02 6.314887899e-02 5.14 1.480334717e-02 1.480334717e-02 5.16 -2.642351642e-02 -2.642351642e-02 5.18 -6.050588585e-02 -6.050588585e-02 5.20 -8.599023420e-02 -8.599023420e-02 5.22 -1.057139221e-01 -1.057139221e-01 5.24 -1.190205779e-01 -1.190205779e-01 5.26 -1.264524222e-01 -1.264524222e-01 5.28 -1.286380417e-01 -1.286380417e-01 5.30 -1.262905680e-01 -1.262905680e-01 5.32 -1.201961279e-01 -1.201961279e-01 5.34 -1.111914904e-01 -1.111914904e-01 5.36 -1.001310775e-01 -1.001310775e-01 5.38 -8.784706150e-02 -8.784706150e-02 5.40 -7.510699282e-02 -7.510699282e-02 5.42 -6.257459924e-02 -6.257459924e-02 5.44 -5.078173437e-02 -5.078173437e-02 5.46 -4.011263489e-02 -4.011263489e-02 5.48 -3.080305429e-02 -3.080305429e-02 5.50 -2.295345389e-02 -2.295345389e-02 5.52 -1.655117287e-02 -1.655117287e-02 5.54 -1.150081938e-02 -1.150081938e-02 5.56 -7.658511624e-03 -7.658511624e-03 5.58 -4.848477411e-03 -4.848477411e-03 5.60 -2.883350432e-03 -2.883350432e-03 5.62 -1.579451041e-03 -1.579451041e-03 5.64 -7.694473490e-04 -7.694473490e-04 5.66 -3.083028008e-04 -3.083028008e-04 5.68 -7.731816191e-05 -7.731816191e-05 5.70 1.467169026e-05 1.467169026e-05 5.72 3.386749806e-05 3.386749806e-05 5.74 2.410429142e-05 2.410429142e-05 5.76 9.955802389e-06 9.955802389e-06 5.78 1.882204581e-06 1.882204581e-06 5.80 7.180790243e-09 7.180790243e-09 5.82 -5.822827399e-07 -5.822827399e-07 5.84 -6.754564472e-06 -6.754564472e-06 5.86 -2.496103147e-05 -2.496103147e-05 5.88 -6.226368282e-05 -6.226368282e-05 5.90 -1.251161379e-04 -1.251161379e-04 5.92 -2.205770535e-04 -2.205770535e-04 5.94 -3.551087180e-04 -3.551087180e-04 5.96 -5.353787199e-04 -5.353787199e-04 5.98 -7.684194138e-04 -7.684194138e-04 6.00 -5.239312351e-04 -4.952163434e-04