# 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 = Co2FeNi # 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 -4.740142735e+02 -4.740142735e+02 1.06 -4.474748096e+02 -4.474748096e+02 1.08 -4.228222727e+02 -4.228222727e+02 1.10 -3.995998087e+02 -3.995998087e+02 1.12 -3.773338029e+02 -3.773338029e+02 1.14 -3.558393819e+02 -3.558393819e+02 1.16 -3.352238436e+02 -3.352238436e+02 1.18 -3.153908337e+02 -3.153908337e+02 1.20 -2.965746974e+02 -2.965746974e+02 1.22 -2.790112876e+02 -2.790112876e+02 1.24 -2.627970951e+02 -2.627970951e+02 1.26 -2.479616591e+02 -2.479616591e+02 1.28 -2.346916686e+02 -2.346916686e+02 1.30 -2.225266777e+02 -2.225266777e+02 1.32 -2.112326462e+02 -2.112326462e+02 1.34 -2.005391438e+02 -2.005391438e+02 1.36 -1.903900539e+02 -1.903900539e+02 1.38 -1.806037847e+02 -1.806037847e+02 1.40 -1.711670905e+02 -1.711670905e+02 1.42 -1.618715183e+02 -1.618715183e+02 1.44 -1.526238891e+02 -1.526238891e+02 1.46 -1.434786063e+02 -1.434786063e+02 1.48 -1.342768715e+02 -1.342768715e+02 1.50 -1.251085216e+02 -1.251085216e+02 1.52 -1.160503169e+02 -1.160503169e+02 1.54 -1.071470939e+02 -1.071470939e+02 1.56 -9.841631376e+01 -9.841631376e+01 1.58 -8.992555697e+01 -8.992555697e+01 1.60 -8.171252169e+01 -8.171252169e+01 1.62 -7.377667558e+01 -7.377667558e+01 1.64 -6.618878981e+01 -6.618878981e+01 1.66 -5.905130930e+01 -5.905130930e+01 1.68 -5.233567857e+01 -5.233567857e+01 1.70 -4.601695808e+01 -4.601695808e+01 1.72 -4.004373264e+01 -4.004373264e+01 1.74 -3.442730105e+01 -3.442730105e+01 1.76 -2.916566361e+01 -2.916566361e+01 1.78 -2.420327109e+01 -2.420327109e+01 1.80 -1.953998750e+01 -1.953998750e+01 1.82 -1.516288380e+01 -1.516288380e+01 1.84 -1.120672373e+01 -1.120672373e+01 1.86 -7.900596094e+00 -7.900596094e+00 1.88 -5.506589606e+00 -5.506589606e+00 1.90 -3.842128207e+00 -3.842128207e+00 1.92 -2.732264801e+00 -2.732264801e+00 1.94 -2.039777133e+00 -2.039777133e+00 1.96 -1.657532654e+00 -1.657532654e+00 1.98 -1.497810137e+00 -1.497810137e+00 2.00 -1.493543209e+00 -1.493543366e+00 2.02 -1.591760004e+00 -1.591760004e+00 2.04 -1.754448169e+00 -1.754448169e+00 2.06 -1.954320679e+00 -1.954320679e+00 2.08 -2.172068405e+00 -2.172068405e+00 2.10 -2.394921607e+00 -2.394921607e+00 2.12 -2.615160331e+00 -2.615160331e+00 2.14 -2.824257496e+00 -2.824257496e+00 2.16 -3.025092714e+00 -3.025092714e+00 2.18 -3.214159854e+00 -3.214159854e+00 2.20 -3.387307821e+00 -3.387307821e+00 2.22 -3.541188377e+00 -3.541188377e+00 2.24 -3.676482780e+00 -3.676482780e+00 2.26 -3.795055574e+00 -3.795055574e+00 2.28 -3.898842230e+00 -3.898842230e+00 2.30 -3.988931587e+00 -3.988931587e+00 2.32 -4.066571126e+00 -4.066571126e+00 2.34 -4.126763138e+00 -4.126763138e+00 2.36 -4.179092434e+00 -4.179092434e+00 2.38 -4.222109631e+00 -4.222109631e+00 2.40 -4.247991635e+00 -4.247991635e+00 2.42 -4.269554439e+00 -4.269554439e+00 2.44 -4.283376457e+00 -4.283376457e+00 2.46 -4.290660467e+00 -4.290660467e+00 2.48 -4.292143098e+00 -4.292143098e+00 2.50 -4.288598176e+00 -4.288598176e+00 2.52 -4.279887357e+00 -4.279887357e+00 2.54 -4.264944422e+00 -4.264944422e+00 2.56 -4.243167761e+00 -4.243167761e+00 2.58 -4.214691813e+00 -4.214691813e+00 2.60 -4.178548190e+00 -4.178548190e+00 2.62 -4.136811043e+00 -4.136811043e+00 2.64 -4.089317481e+00 -4.089317481e+00 2.66 -4.036550346e+00 -4.036550346e+00 2.68 -3.978832169e+00 -3.978832169e+00 2.70 -3.916415530e+00 -3.916415530e+00 2.72 -3.849580358e+00 -3.849580358e+00 2.74 -3.778700139e+00 -3.778700139e+00 2.76 -3.704378684e+00 -3.704378684e+00 2.78 -3.627527642e+00 -3.627527642e+00 2.80 -3.549337581e+00 -3.549337581e+00 2.82 -3.471136565e+00 -3.471136565e+00 2.84 -3.394173441e+00 -3.394173441e+00 2.86 -3.319499688e+00 -3.319499688e+00 2.88 -3.247841741e+00 -3.247841741e+00 2.90 -3.179592759e+00 -3.179592759e+00 2.92 -3.114960787e+00 -3.114960787e+00 2.94 -3.053726038e+00 -3.053726038e+00 2.96 -2.995455177e+00 -2.995455177e+00 2.98 -2.938857628e+00 -2.938857628e+00 3.00 -2.879745930e+00 -2.879745930e+00 3.02 -2.814158834e+00 -2.814158834e+00 3.04 -2.739604687e+00 -2.739604687e+00 3.06 -2.651939527e+00 -2.651939527e+00 3.08 -2.547433000e+00 -2.547433000e+00 3.10 -2.422068699e+00 -2.422068699e+00 3.12 -2.271780129e+00 -2.271780129e+00 3.14 -2.101874862e+00 -2.101874862e+00 3.16 -1.901857994e+00 -1.901857994e+00 3.18 -1.676476379e+00 -1.676476379e+00 3.20 -1.435084010e+00 -1.435084010e+00 3.22 -1.187966287e+00 -1.187966287e+00 3.24 -9.447468228e-01 -9.447468228e-01 3.26 -7.140293876e-01 -7.140293876e-01 3.28 -5.028717287e-01 -5.028717287e-01 3.30 -3.161594632e-01 -3.161594632e-01 3.32 -1.561363252e-01 -1.561363252e-01 3.34 -2.236569597e-02 -2.236569597e-02 3.36 8.771732196e-02 8.771732196e-02 3.38 1.779322399e-01 1.779322399e-01 3.40 2.524102418e-01 2.524102418e-01 3.42 3.148151023e-01 3.148151023e-01 3.44 3.680135486e-01 3.680135486e-01 3.46 4.140544377e-01 4.140544377e-01 3.48 4.543344878e-01 4.543344878e-01 3.50 4.898223101e-01 4.898223101e-01 3.52 5.212572816e-01 5.212572816e-01 3.54 5.492869976e-01 5.492869976e-01 3.56 5.745365439e-01 5.745365439e-01 3.58 5.976169623e-01 5.976169623e-01 3.60 6.191067510e-01 6.191067510e-01 3.62 6.395430588e-01 6.395430588e-01 3.64 6.594182865e-01 6.594182865e-01 3.66 6.791672497e-01 6.791672497e-01 3.68 6.927364721e-01 6.927364721e-01 3.70 7.092878385e-01 7.092878385e-01 3.72 7.252388625e-01 7.252388625e-01 3.74 7.405986561e-01 7.405986561e-01 3.76 7.553454951e-01 7.553454951e-01 3.78 7.694329456e-01 7.694329456e-01 3.80 7.827945107e-01 7.827945107e-01 3.82 7.953476398e-01 7.953476398e-01 3.84 8.069966288e-01 8.069966288e-01 3.86 8.176451404e-01 8.176451404e-01 3.88 8.272866045e-01 8.272866045e-01 3.90 8.359637811e-01 8.359637811e-01 3.92 8.437207803e-01 8.437207803e-01 3.94 8.505917783e-01 8.505917783e-01 3.96 8.565920914e-01 8.565920914e-01 3.98 8.617336614e-01 8.617336614e-01 4.00 8.660271788e-01 8.660271788e-01 4.02 8.694817620e-01 8.694817620e-01 4.04 8.721050673e-01 8.721050673e-01 4.06 8.739035439e-01 8.739035439e-01 4.08 8.748817659e-01 8.748817659e-01 4.10 8.750430819e-01 8.750430819e-01 4.12 8.743891025e-01 8.743891025e-01 4.14 8.729209999e-01 8.729209999e-01 4.16 8.706400440e-01 8.706400440e-01 4.18 8.675457269e-01 8.675457269e-01 4.20 8.636310223e-01 8.636310223e-01 4.22 8.588594859e-01 8.588594859e-01 4.24 8.531831532e-01 8.531831532e-01 4.26 8.465527229e-01 8.465527229e-01 4.28 8.389161967e-01 8.389161967e-01 4.30 8.302202997e-01 8.302202997e-01 4.32 8.204091723e-01 8.204091723e-01 4.34 8.094251680e-01 8.094251680e-01 4.36 7.972086648e-01 7.972086648e-01 4.38 7.836980611e-01 7.836980611e-01 4.40 7.688298128e-01 7.688298128e-01 4.42 7.525393410e-01 7.525393410e-01 4.44 7.347601437e-01 7.347601437e-01 4.46 7.154253910e-01 7.154253910e-01 4.48 6.944675841e-01 6.944675841e-01 4.50 6.718199213e-01 6.718199213e-01 4.52 6.474194358e-01 6.474194358e-01 4.54 6.212484407e-01 6.212484407e-01 4.56 5.933645436e-01 5.933645436e-01 4.58 5.638526039e-01 5.638526039e-01 4.60 5.328120661e-01 5.328120661e-01 4.62 5.003575619e-01 5.003575619e-01 4.64 4.666180568e-01 4.666180568e-01 4.66 4.317347219e-01 4.317347219e-01 4.68 3.958594181e-01 3.958594181e-01 4.70 3.591499430e-01 3.591499430e-01 4.72 3.217676117e-01 3.217676117e-01 4.74 2.838746216e-01 2.838746216e-01 4.76 2.456322268e-01 2.456322268e-01 4.78 2.072028689e-01 2.072028689e-01 4.80 1.687481392e-01 1.687481392e-01 4.82 1.304278109e-01 1.304278109e-01 4.84 9.240778063e-02 9.240778063e-02 4.86 5.486641843e-02 5.486641843e-02 4.88 1.799596221e-02 1.799596221e-02 4.90 -1.799378399e-02 -1.799378399e-02 4.92 -5.287746210e-02 -5.287746210e-02 4.94 -8.642115276e-02 -8.642115276e-02 4.96 -1.181527247e-01 -1.181527247e-01 4.98 -1.464874280e-01 -1.464874280e-01 5.00 -1.701488964e-01 -1.701488964e-01 5.02 -1.884793104e-01 -1.884793104e-01 5.04 -2.013768953e-01 -2.013768953e-01 5.06 -2.092058909e-01 -2.092058909e-01 5.08 -2.126847743e-01 -2.126847743e-01 5.10 -2.127561304e-01 -2.127561304e-01 5.12 -2.104466248e-01 -2.104466248e-01 5.14 -2.067272350e-01 -2.067272350e-01 5.16 -2.023836180e-01 -2.023836180e-01 5.18 -1.979113488e-01 -1.979113488e-01 5.20 -1.942737725e-01 -1.942737725e-01 5.22 -1.899285371e-01 -1.899285371e-01 5.24 -1.848921897e-01 -1.848921897e-01 5.26 -1.784717622e-01 -1.784717622e-01 5.28 -1.700047873e-01 -1.700047873e-01 5.30 -1.590226753e-01 -1.590226753e-01 5.32 -1.453719032e-01 -1.453719032e-01 5.34 -1.292707488e-01 -1.292707488e-01 5.36 -1.112900454e-01 -1.112900454e-01 5.38 -9.226618539e-02 -9.226618539e-02 5.40 -7.316668696e-02 -7.316668696e-02 5.42 -5.494347444e-02 -5.494347444e-02 5.44 -3.840528001e-02 -3.840528001e-02 5.46 -2.413607016e-02 -2.413607016e-02 5.48 -1.246264910e-02 -1.246264910e-02 5.50 -3.467572782e-03 -3.467572782e-03 5.52 2.970086965e-03 2.970086965e-03 5.54 7.116899124e-03 7.116899124e-03 5.56 9.328142887e-03 9.328142887e-03 5.58 1.000791816e-02 1.000791816e-02 5.60 9.568677129e-03 9.568677129e-03 5.62 8.399346850e-03 8.399346850e-03 5.64 6.841408287e-03 6.841408287e-03 5.66 5.173992756e-03 5.173992756e-03 5.68 3.607131382e-03 3.607131382e-03 5.70 2.280188521e-03 2.280188521e-03 5.72 1.266540265e-03 1.266540265e-03 5.74 5.820187629e-04 5.820187629e-04 5.76 1.936826112e-04 1.936826112e-04 5.78 3.156691272e-05 3.156691272e-05 5.80 2.009642846e-07 2.009642846e-07 5.82 -1.011261830e-05 -1.011261830e-05 5.84 -1.127603852e-04 -1.127603852e-04 5.86 -4.214829231e-04 -4.214829231e-04 5.88 -1.049560263e-03 -1.049560263e-03 5.90 -2.110622614e-03 -2.110622614e-03 5.92 -3.717462112e-03 -3.717462112e-03 5.94 -5.981970746e-03 -5.981970746e-03 5.96 -9.014384550e-03 -9.014384550e-03 5.98 -1.292225066e-02 -1.292225066e-02 6.00 -8.463703572e-03 -8.679288610e-03