# 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 = CoCr2Cu # 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 -3.775218961e+02 -3.775218961e+02 1.06 -3.562527081e+02 -3.562527081e+02 1.08 -3.363883027e+02 -3.363883027e+02 1.10 -3.176683099e+02 -3.176683099e+02 1.12 -2.994225983e+02 -2.994225983e+02 1.14 -2.814838263e+02 -2.814838263e+02 1.16 -2.643231731e+02 -2.643231731e+02 1.18 -2.481698499e+02 -2.481698499e+02 1.20 -2.337727580e+02 -2.337727580e+02 1.22 -2.212692817e+02 -2.212692817e+02 1.24 -2.099345380e+02 -2.099345380e+02 1.26 -1.990696458e+02 -1.990696458e+02 1.28 -1.890956829e+02 -1.890956829e+02 1.30 -1.795357717e+02 -1.795357717e+02 1.32 -1.702575934e+02 -1.702575934e+02 1.34 -1.610038634e+02 -1.610038634e+02 1.36 -1.520884307e+02 -1.520884307e+02 1.38 -1.436129692e+02 -1.436129692e+02 1.40 -1.358837091e+02 -1.358837091e+02 1.42 -1.284243007e+02 -1.284243007e+02 1.44 -1.209288444e+02 -1.209288444e+02 1.46 -1.134957996e+02 -1.134957996e+02 1.48 -1.059068553e+02 -1.059068553e+02 1.50 -9.838278492e+01 -9.838278492e+01 1.52 -9.105659956e+01 -9.105659956e+01 1.54 -8.392570509e+01 -8.392570509e+01 1.56 -7.685598627e+01 -7.685598627e+01 1.58 -6.970011127e+01 -6.970011127e+01 1.60 -6.226218634e+01 -6.226218634e+01 1.62 -5.451761363e+01 -5.451761363e+01 1.64 -4.676560240e+01 -4.676560240e+01 1.66 -3.943047929e+01 -3.943047929e+01 1.68 -3.253978900e+01 -3.253978900e+01 1.70 -2.618279794e+01 -2.618279794e+01 1.72 -2.036902952e+01 -2.036902952e+01 1.74 -1.521253190e+01 -1.521253190e+01 1.76 -1.072008946e+01 -1.072008946e+01 1.78 -7.042298490e+00 -7.042298490e+00 1.80 -4.498228053e+00 -4.498228053e+00 1.82 -2.768531170e+00 -2.768531170e+00 1.84 -1.625193113e+00 -1.625193113e+00 1.86 -9.094613506e-01 -9.094613506e-01 1.88 -5.199696766e-01 -5.199696766e-01 1.90 -3.648349069e-01 -3.648349069e-01 1.92 -3.672289943e-01 -3.672289943e-01 1.94 -4.741538554e-01 -4.741538554e-01 1.96 -6.530520589e-01 -6.530520589e-01 1.98 -8.816036329e-01 -8.816036329e-01 2.00 -1.145327155e+00 -1.145326888e+00 2.02 -1.430822219e+00 -1.430822219e+00 2.04 -1.725672060e+00 -1.725672060e+00 2.06 -2.023169075e+00 -2.023169075e+00 2.08 -2.315155320e+00 -2.315155320e+00 2.10 -2.592694707e+00 -2.592694707e+00 2.12 -2.847572631e+00 -2.847572631e+00 2.14 -3.071297833e+00 -3.071297833e+00 2.16 -3.263477666e+00 -3.263477666e+00 2.18 -3.421877027e+00 -3.421877027e+00 2.20 -3.546691255e+00 -3.546691255e+00 2.22 -3.639680207e+00 -3.639680207e+00 2.24 -3.705039592e+00 -3.705039592e+00 2.26 -3.750774904e+00 -3.750774904e+00 2.28 -3.785490462e+00 -3.785490462e+00 2.30 -3.816526392e+00 -3.816526392e+00 2.32 -3.847881932e+00 -3.847881932e+00 2.34 -3.873743823e+00 -3.873743823e+00 2.36 -3.902095116e+00 -3.902095116e+00 2.38 -3.930110666e+00 -3.930110666e+00 2.40 -3.949268482e+00 -3.949268482e+00 2.42 -3.967193143e+00 -3.967193143e+00 2.44 -3.978610170e+00 -3.978610170e+00 2.46 -3.983619093e+00 -3.983619093e+00 2.48 -3.982895294e+00 -3.982895294e+00 2.50 -3.977447929e+00 -3.977447929e+00 2.52 -3.967468609e+00 -3.967468609e+00 2.54 -3.952726870e+00 -3.952726870e+00 2.56 -3.933167598e+00 -3.933167598e+00 2.58 -3.908860888e+00 -3.908860888e+00 2.60 -3.879227895e+00 -3.879227895e+00 2.62 -3.845940007e+00 -3.845940007e+00 2.64 -3.809078275e+00 -3.809078275e+00 2.66 -3.769171134e+00 -3.769171134e+00 2.68 -3.726540777e+00 -3.726540777e+00 2.70 -3.681371327e+00 -3.681371327e+00 2.72 -3.633786895e+00 -3.633786895e+00 2.74 -3.583874519e+00 -3.583874519e+00 2.76 -3.531740194e+00 -3.531740194e+00 2.78 -3.477571431e+00 -3.477571431e+00 2.80 -3.421615045e+00 -3.421615045e+00 2.82 -3.364069780e+00 -3.364069780e+00 2.84 -3.305027342e+00 -3.305027342e+00 2.86 -3.244529313e+00 -3.244529313e+00 2.88 -3.182556450e+00 -3.182556450e+00 2.90 -3.118839380e+00 -3.118839380e+00 2.92 -3.053212936e+00 -3.053212936e+00 2.94 -2.985349721e+00 -2.985349721e+00 2.96 -2.914967303e+00 -2.914967303e+00 2.98 -2.841939682e+00 -2.841939682e+00 3.00 -2.766094195e+00 -2.766094195e+00 3.02 -2.687589207e+00 -2.687589207e+00 3.04 -2.607223332e+00 -2.607223332e+00 3.06 -2.525306479e+00 -2.525306479e+00 3.08 -2.442410243e+00 -2.442410243e+00 3.10 -2.358970652e+00 -2.358970652e+00 3.12 -2.275659706e+00 -2.275659706e+00 3.14 -2.196313185e+00 -2.196313185e+00 3.16 -2.118358536e+00 -2.118358536e+00 3.18 -2.043948767e+00 -2.043948767e+00 3.20 -1.973507141e+00 -1.973507141e+00 3.22 -1.907076054e+00 -1.907076054e+00 3.24 -1.844445612e+00 -1.844445612e+00 3.26 -1.785185984e+00 -1.785185984e+00 3.28 -1.728693167e+00 -1.728693167e+00 3.30 -1.674261789e+00 -1.674261789e+00 3.32 -1.621179087e+00 -1.621179087e+00 3.34 -1.568824114e+00 -1.568824114e+00 3.36 -1.516779675e+00 -1.516779675e+00 3.38 -1.464876600e+00 -1.464876600e+00 3.40 -1.413171731e+00 -1.413171731e+00 3.42 -1.361925093e+00 -1.361925093e+00 3.44 -1.311480572e+00 -1.311480572e+00 3.46 -1.262176543e+00 -1.262176543e+00 3.48 -1.214283522e+00 -1.214283522e+00 3.50 -1.167968421e+00 -1.167968421e+00 3.52 -1.123285592e+00 -1.123285592e+00 3.54 -1.080188390e+00 -1.080188390e+00 3.56 -1.038554983e+00 -1.038554983e+00 3.58 -9.982219164e-01 -9.982219164e-01 3.60 -9.590080455e-01 -9.590080455e-01 3.62 -9.207197657e-01 -9.207197657e-01 3.64 -8.831547977e-01 -8.831547977e-01 3.66 -8.461272417e-01 -8.461272417e-01 3.68 -8.123436451e-01 -8.123436451e-01 3.70 -7.776171287e-01 -7.776171287e-01 3.72 -7.435164778e-01 -7.435164778e-01 3.74 -7.099601856e-01 -7.099601856e-01 3.76 -6.768660765e-01 -6.768660765e-01 3.78 -6.441512224e-01 -6.441512224e-01 3.80 -6.117319215e-01 -6.117319215e-01 3.82 -5.795238118e-01 -5.795238118e-01 3.84 -5.474418622e-01 -5.474418622e-01 3.86 -5.154086332e-01 -5.154086332e-01 3.88 -4.834187704e-01 -4.834187704e-01 3.90 -4.515080741e-01 -4.515080741e-01 3.92 -4.197176056e-01 -4.197176056e-01 3.94 -3.880885854e-01 -3.880885854e-01 3.96 -3.566573646e-01 -3.566573646e-01 3.98 -3.254629891e-01 -3.254629891e-01 4.00 -2.952972863e-01 -2.952972863e-01 4.02 -2.704917296e-01 -2.704917296e-01 4.04 -2.556007785e-01 -2.556007785e-01 4.06 -2.541066889e-01 -2.541066889e-01 4.08 -2.684418102e-01 -2.684418102e-01 4.10 -3.000213031e-01 -3.000213031e-01 4.12 -3.492868816e-01 -3.492868816e-01 4.14 -4.157499391e-01 -4.157499391e-01 4.16 -4.980509633e-01 -4.980509633e-01 4.18 -5.940539561e-01 -5.940539561e-01 4.20 -7.009444435e-01 -7.009444435e-01 4.22 -8.153638531e-01 -8.153638531e-01 4.24 -9.335750925e-01 -9.335750925e-01 4.26 -1.051733717e+00 -1.051733717e+00 4.28 -1.165756938e+00 -1.165756938e+00 4.30 -1.271415484e+00 -1.271415484e+00 4.32 -1.364501067e+00 -1.364501067e+00 4.34 -1.441006966e+00 -1.441006966e+00 4.36 -1.497320962e+00 -1.497320962e+00 4.38 -1.530416623e+00 -1.530416623e+00 4.40 -1.538054320e+00 -1.538054320e+00 4.42 -1.518958582e+00 -1.518958582e+00 4.44 -1.472977359e+00 -1.472977359e+00 4.46 -1.401191853e+00 -1.401191853e+00 4.48 -1.305966252e+00 -1.305966252e+00 4.50 -1.190901044e+00 -1.190901044e+00 4.52 -1.060739807e+00 -1.060739807e+00 4.54 -9.215189362e-01 -9.215189362e-01 4.56 -7.798475427e-01 -7.798475427e-01 4.58 -6.419069920e-01 -6.419069920e-01 4.60 -5.128304478e-01 -5.128304478e-01 4.62 -3.964126625e-01 -3.964126625e-01 4.64 -2.949020056e-01 -2.949020056e-01 4.66 -2.089867741e-01 -2.089867741e-01 4.68 -1.379968330e-01 -1.379968330e-01 4.70 -8.026337394e-02 -8.026337394e-02 4.72 -3.354946264e-02 -3.354946264e-02 4.74 4.544940984e-03 4.544940984e-03 4.76 3.627235611e-02 3.627235611e-02 4.78 6.356216192e-02 6.356216192e-02 4.80 8.794050251e-02 8.794050251e-02 4.82 1.105143654e-01 1.105143654e-01 4.84 1.320211486e-01 1.320211486e-01 4.86 1.528852936e-01 1.528852936e-01 4.88 1.732720573e-01 1.732720573e-01 4.90 1.931323493e-01 1.931323493e-01 4.92 2.122442012e-01 2.122442012e-01 4.94 2.302526397e-01 2.302526397e-01 4.96 2.467110279e-01 2.467110279e-01 4.98 2.611257790e-01 2.611257790e-01 5.00 2.730009303e-01 2.730009303e-01 5.02 2.818803227e-01 2.818803227e-01 5.04 2.873846794e-01 2.873846794e-01 5.06 2.892401513e-01 2.892401513e-01 5.08 2.872985410e-01 2.872985410e-01 5.10 2.815511676e-01 2.815511676e-01 5.12 2.721378870e-01 2.721378870e-01 5.14 2.593497145e-01 2.593497145e-01 5.16 2.436232561e-01 2.436232561e-01 5.18 2.255261010e-01 2.255261010e-01 5.20 2.062232222e-01 2.062232222e-01 5.22 1.851824188e-01 1.851824188e-01 5.24 1.638001155e-01 1.638001155e-01 5.26 1.428188162e-01 1.428188162e-01 5.28 1.228639933e-01 1.228639933e-01 5.30 1.044083257e-01 1.044083257e-01 5.32 8.775320024e-02 8.775320024e-02 5.34 7.303073425e-02 7.303073425e-02 5.36 6.022631740e-02 6.022631740e-02 5.38 4.921760766e-02 4.921760766e-02 5.40 3.982100503e-02 3.982100503e-02 5.42 3.183546843e-02 3.183546843e-02 5.44 2.507550118e-02 2.507550118e-02 5.46 1.938774208e-02 1.938774208e-02 5.48 1.465223970e-02 1.465223970e-02 5.50 1.077393823e-02 1.077393823e-02 5.52 7.670381624e-03 7.670381624e-03 5.54 5.258366623e-03 5.258366623e-03 5.56 3.444983680e-03 3.444983680e-03 5.58 2.133648299e-03 2.133648299e-03 5.60 1.228382024e-03 1.228382024e-03 5.62 6.380584289e-04 6.380584289e-04 5.64 2.806330588e-04 2.806330588e-04 5.66 8.575740131e-05 8.575740131e-05 5.68 -3.774684024e-06 -3.774684024e-06 5.70 -3.175878680e-05 -3.175878680e-05 5.72 -2.954227745e-05 -2.954227745e-05 5.74 -1.751080197e-05 -1.751080197e-05 5.76 -6.727865920e-06 -6.727865920e-06 5.78 -1.202847906e-06 -1.202847906e-06 5.80 -1.072053885e-08 -1.072053885e-08 5.82 3.787698832e-07 3.787698832e-07 5.84 4.339286765e-06 4.339286765e-06 5.86 1.616299280e-05 1.616299280e-05 5.88 4.028139226e-05 4.028139226e-05 5.90 8.101653479e-05 8.101653479e-05 5.92 1.428620341e-04 1.428620341e-04 5.94 2.302014146e-04 2.302014146e-04 5.96 3.475827660e-04 3.475827660e-04 5.98 4.998663151e-04 4.998663151e-04 6.00 3.458894536e-04 3.161310736e-04