# 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 = FeNi # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan -5.352352266e+02 -5.352352266e+02 nan nan 0.84 nan nan nan nan -4.953760067e+02 -4.953760067e+02 nan nan 0.86 nan nan nan nan -4.582191394e+02 -4.582191394e+02 nan nan 0.88 nan nan nan nan -4.234510849e+02 -4.234510849e+02 nan nan 0.90 nan nan nan nan -3.900504750e+02 -3.900504750e+02 nan nan 0.92 -5.912885682e+02 -5.912885682e+02 nan nan -3.583958000e+02 -3.583958000e+02 nan nan 0.94 -5.529233846e+02 -5.529233846e+02 nan nan -3.300707048e+02 -3.300707048e+02 nan nan 0.96 -5.174412174e+02 -5.174412174e+02 nan nan -3.048097546e+02 -3.048097546e+02 nan nan 0.98 -4.837665546e+02 -4.837665546e+02 nan nan -2.815496183e+02 -2.815496183e+02 nan nan 1.00 -4.517333096e+02 -4.517333096e+02 nan nan -2.597053765e+02 -2.597053765e+02 nan nan 1.02 -4.221070387e+02 -4.221070387e+02 nan nan -2.390076980e+02 -2.390076980e+02 nan nan 1.04 -3.947058050e+02 -3.947058050e+02 -5.254568376e+02 -5.254568376e+02 -2.197175824e+02 -2.197175824e+02 -5.549875339e+02 -5.549875339e+02 1.06 -3.694082712e+02 -3.694082712e+02 -4.951198791e+02 -4.951198791e+02 -2.018734632e+02 -2.018734632e+02 -5.226907718e+02 -5.226907718e+02 1.08 -3.468709149e+02 -3.468709149e+02 -4.671749563e+02 -4.671749563e+02 -1.855210580e+02 -1.855210580e+02 -4.929187200e+02 -4.929187200e+02 1.10 -3.269642572e+02 -3.269642572e+02 -4.411725450e+02 -4.411725450e+02 -1.707807324e+02 -1.707807324e+02 -4.653918015e+02 -4.653918015e+02 1.12 -3.086353474e+02 -3.086353474e+02 -4.170380708e+02 -4.170380708e+02 -1.576678466e+02 -1.576678466e+02 -4.396006908e+02 -4.396006908e+02 1.14 -2.910558959e+02 -2.910558959e+02 -3.946670008e+02 -3.946670008e+02 -1.460451013e+02 -1.460451013e+02 -4.150650282e+02 -4.150650282e+02 1.16 -2.738082686e+02 -2.738082686e+02 -3.736164061e+02 -3.736164061e+02 -1.351791299e+02 -1.351791299e+02 -3.915806707e+02 -3.915806707e+02 1.18 -2.569721352e+02 -2.569721352e+02 -3.535296323e+02 -3.535296323e+02 -1.246449606e+02 -1.246449606e+02 -3.695541036e+02 -3.695541036e+02 1.20 -2.408551295e+02 -2.408551295e+02 -3.338438552e+02 -3.338438552e+02 -1.143676322e+02 -1.143676322e+02 -3.491511362e+02 -3.491511362e+02 1.22 -2.254212351e+02 -2.254212351e+02 -3.145429212e+02 -3.145429212e+02 -1.043784281e+02 -1.043784281e+02 -3.302614053e+02 -3.302614053e+02 1.24 -2.104553787e+02 -2.104553787e+02 -2.962763007e+02 -2.962763007e+02 -9.498171295e+01 -9.498171295e+01 -3.126145105e+02 -3.126145105e+02 1.26 -1.960009646e+02 -1.960009646e+02 -2.796776496e+02 -2.796776496e+02 -8.673717290e+01 -8.673717290e+01 -2.959198206e+02 -2.959198206e+02 1.28 -1.821305973e+02 -1.821305973e+02 -2.643799473e+02 -2.643799473e+02 -7.968643286e+01 -7.968643286e+01 -2.802505926e+02 -2.802505926e+02 1.30 -1.691800673e+02 -1.691800673e+02 -2.504080287e+02 -2.504080287e+02 -7.353825032e+01 -7.353825032e+01 -2.656544852e+02 -2.656544852e+02 1.32 -1.572167681e+02 -1.572167681e+02 -2.375091163e+02 -2.375091163e+02 -6.794673679e+01 -6.794673679e+01 -2.519564338e+02 -2.519564338e+02 1.34 -1.462357229e+02 -1.462357229e+02 -2.255640252e+02 -2.255640252e+02 -6.275812759e+01 -6.275812759e+01 -2.389752035e+02 -2.389752035e+02 1.36 -1.358211147e+02 -1.358211147e+02 -2.141199293e+02 -2.141199293e+02 -5.783514224e+01 -5.783514224e+01 -2.266293942e+02 -2.266293942e+02 1.38 -1.257833441e+02 -1.257833441e+02 -2.029099814e+02 -2.029099814e+02 -5.313398262e+01 -5.313398262e+01 -2.148618348e+02 -2.148618348e+02 1.40 -1.159625155e+02 -1.159625155e+02 -1.915933891e+02 -1.915933891e+02 -4.836389278e+01 -4.836389278e+01 -2.034640909e+02 -2.034640909e+02 1.42 -1.063367142e+02 -1.063367142e+02 -1.804133516e+02 -1.804133516e+02 -4.359511028e+01 -4.359511028e+01 -1.921692736e+02 -1.921692736e+02 1.44 -9.724202742e+01 -9.724202742e+01 -1.695022361e+02 -1.695022361e+02 -3.878241663e+01 -3.878241663e+01 -1.809508795e+02 -1.809508795e+02 1.46 -8.886207948e+01 -8.886207948e+01 -1.587132226e+02 -1.587132226e+02 -3.395636353e+01 -3.395636353e+01 -1.699824196e+02 -1.699824196e+02 1.48 -8.138538867e+01 -8.138538867e+01 -1.481364429e+02 -1.481364429e+02 -2.923456297e+01 -2.923456297e+01 -1.594233732e+02 -1.594233732e+02 1.50 -7.466383954e+01 -7.466383954e+01 -1.376286866e+02 -1.376286866e+02 -2.468541388e+01 -2.468541388e+01 -1.492556553e+02 -1.492556553e+02 1.52 -6.847565771e+01 -6.847565771e+01 -1.271671168e+02 -1.271671168e+02 -2.062371540e+01 -2.062371540e+01 -1.394497153e+02 -1.394497153e+02 1.54 -6.263885769e+01 -6.263885769e+01 -1.168277284e+02 -1.168277284e+02 -1.702805425e+01 -1.702805425e+01 -1.300713023e+02 -1.300713023e+02 1.56 -5.703981193e+01 -5.703981193e+01 -1.068002731e+02 -1.068002731e+02 -1.372748116e+01 -1.372748116e+01 -1.210699152e+02 -1.210699152e+02 1.58 -5.161953351e+01 -5.161953351e+01 -9.729968888e+01 -9.729968888e+01 -1.070742384e+01 -1.070742384e+01 -1.123888855e+02 -1.123888855e+02 1.60 -4.637313810e+01 -4.637313810e+01 -8.858884738e+01 -8.858884738e+01 -8.020581301e+00 -8.020581301e+00 -1.039691946e+02 -1.039691946e+02 1.62 -4.111027101e+01 -4.111027101e+01 -8.072805163e+01 -8.072805163e+01 -5.966260556e+00 -5.966260556e+00 -9.576893726e+01 -9.576893726e+01 1.64 -3.607146478e+01 -3.607146478e+01 -7.355950296e+01 -7.355950296e+01 -4.431872130e+00 -4.431872130e+00 -8.788925392e+01 -8.788925392e+01 1.66 -3.121171557e+01 -3.121171557e+01 -6.683988098e+01 -6.683988098e+01 -3.260766162e+00 -3.260766162e+00 -8.026321398e+01 -8.026321398e+01 1.68 -2.648656876e+01 -2.648656876e+01 -6.059095908e+01 -6.059095908e+01 -2.371438261e+00 -2.371438261e+00 -7.290269193e+01 -7.290269193e+01 1.70 -2.209896271e+01 -2.209896271e+01 -5.469955846e+01 -5.469955846e+01 -1.694103547e+00 -1.694103547e+00 -6.576434345e+01 -6.576434345e+01 1.72 -1.833584304e+01 -1.833584304e+01 -4.909946464e+01 -4.909946464e+01 -1.185832701e+00 -1.185832701e+00 -5.891274039e+01 -5.891274039e+01 1.74 -1.506430195e+01 -1.506430195e+01 -4.365247067e+01 -4.365247067e+01 -8.210868908e-01 -8.210868908e-01 -5.236477602e+01 -5.236477602e+01 1.76 -1.217761987e+01 -1.217761987e+01 -3.835148694e+01 -3.835148694e+01 -5.756820195e-01 -5.756820195e-01 -4.620217476e+01 -4.620217476e+01 1.78 -9.602704966e+00 -9.602704966e+00 -3.325550865e+01 -3.325550865e+01 -4.134800863e-01 -4.134800863e-01 -4.046718582e+01 -4.046718582e+01 1.80 -7.357868319e+00 -7.357868319e+00 -2.839281875e+01 -2.839281875e+01 -2.901316858e-01 -2.901316858e-01 -3.516688328e+01 -3.516688328e+01 1.82 -5.634482518e+00 -5.634482518e+00 -2.381557598e+01 -2.381557598e+01 -2.349007359e-01 -2.349007359e-01 -3.027211209e+01 -3.027211209e+01 1.84 -4.421456708e+00 -4.421456708e+00 -1.951458320e+01 -1.951458320e+01 -2.517455659e-01 -2.517455659e-01 -2.570530446e+01 -2.570530446e+01 1.86 -3.563488213e+00 -3.563488213e+00 -1.551592578e+01 -1.551592578e+01 -3.024505028e-01 -3.024505028e-01 -2.144813115e+01 -2.144813115e+01 1.88 -2.952906835e+00 -2.952906835e+00 -1.210017549e+01 -1.210017549e+01 -3.677199396e-01 -3.677199396e-01 -1.750408901e+01 -1.750408901e+01 1.90 -2.513108367e+00 -2.513108367e+00 -9.271438268e+00 -9.271438268e+00 -4.391356229e-01 -4.391356229e-01 -1.407588517e+01 -1.407588517e+01 1.92 -2.211000802e+00 -2.211000802e+00 -7.010910071e+00 -7.010910071e+00 -5.195298429e-01 -5.195298429e-01 -1.110863559e+01 -1.110863559e+01 1.94 -2.016173054e+00 -2.016173054e+00 -5.381988700e+00 -5.381988700e+00 -6.115720968e-01 -6.115720968e-01 -8.468505743e+00 -8.468505743e+00 1.96 -1.906405498e+00 -1.906405498e+00 -4.248306987e+00 -4.248306987e+00 -7.146354473e-01 -7.146354473e-01 -6.192179778e+00 -6.192179778e+00 1.98 -1.862537802e+00 -1.862537802e+00 -3.478753497e+00 -3.478753497e+00 -8.271143234e-01 -8.271143234e-01 -4.524723576e+00 -4.524723576e+00 2.00 -1.864408488e+00 -1.864408488e+00 -2.966464217e+00 -2.966468099e+00 -9.475419359e-01 -9.475419438e-01 -3.396586015e+00 -3.396586015e+00 2.02 -1.902457239e+00 -1.902457239e+00 -2.640423353e+00 -2.640423353e+00 -1.074801564e+00 -1.074801564e+00 -2.700992940e+00 -2.700992940e+00 2.04 -1.970054290e+00 -1.970054290e+00 -2.477231229e+00 -2.477231229e+00 -1.208069801e+00 -1.208069801e+00 -2.337260730e+00 -2.337260730e+00 2.06 -2.060246066e+00 -2.060246066e+00 -2.437602276e+00 -2.437602276e+00 -1.345882349e+00 -1.345882349e+00 -2.204532711e+00 -2.204532711e+00 2.08 -2.166942620e+00 -2.166942620e+00 -2.493170493e+00 -2.493170493e+00 -1.486491152e+00 -1.486491152e+00 -2.224783240e+00 -2.224783240e+00 2.10 -2.282206083e+00 -2.282206083e+00 -2.616040229e+00 -2.616040229e+00 -1.627923798e+00 -1.627923798e+00 -2.345069518e+00 -2.345069518e+00 2.12 -2.413436805e+00 -2.413436805e+00 -2.779828822e+00 -2.779828822e+00 -1.768014227e+00 -1.768014227e+00 -2.521025214e+00 -2.521025214e+00 2.14 -2.571033469e+00 -2.571033469e+00 -2.959819533e+00 -2.959819533e+00 -1.908647556e+00 -1.908647556e+00 -2.723516534e+00 -2.723516534e+00 2.16 -2.744445255e+00 -2.744445255e+00 -3.147030749e+00 -3.147030749e+00 -2.041891592e+00 -2.041891592e+00 -2.933490346e+00 -2.933490346e+00 2.18 -2.913713029e+00 -2.913713029e+00 -3.328378362e+00 -3.328378362e+00 -2.164216140e+00 -2.164216140e+00 -3.137283909e+00 -3.137283909e+00 2.20 -3.066656406e+00 -3.066656406e+00 -3.496320660e+00 -3.496320660e+00 -2.270964226e+00 -2.270964226e+00 -3.321926936e+00 -3.321926936e+00 2.22 -3.196983158e+00 -3.196983158e+00 -3.648027357e+00 -3.648027357e+00 -2.358610271e+00 -2.358610271e+00 -3.482407460e+00 -3.482407460e+00 2.24 -3.302198578e+00 -3.302198578e+00 -3.783351316e+00 -3.783351316e+00 -2.425611311e+00 -2.425611311e+00 -3.615972500e+00 -3.615972500e+00 2.26 -3.384781808e+00 -3.384781808e+00 -3.902124914e+00 -3.902124914e+00 -2.471104995e+00 -2.471104995e+00 -3.731220265e+00 -3.731220265e+00 2.28 -3.448025347e+00 -3.448025347e+00 -4.004611870e+00 -4.004611870e+00 -2.494768526e+00 -2.494768526e+00 -3.835666602e+00 -3.835666602e+00 2.30 -3.494303915e+00 -3.494303915e+00 -4.091624558e+00 -4.091624558e+00 -2.497377332e+00 -2.497377332e+00 -3.934167341e+00 -3.934167341e+00 2.32 -3.525423785e+00 -3.525423785e+00 -4.163825791e+00 -4.163825791e+00 -2.481391736e+00 -2.481391736e+00 -4.029324611e+00 -4.029324611e+00 2.34 -3.542930647e+00 -3.542930647e+00 -4.223217992e+00 -4.223217992e+00 -2.451190470e+00 -2.451190470e+00 -4.116776241e+00 -4.116776241e+00 2.36 -3.548190630e+00 -3.548190630e+00 -4.267924878e+00 -4.267924878e+00 -2.412510116e+00 -2.412510116e+00 -4.193448722e+00 -4.193448722e+00 2.38 -3.542536918e+00 -3.542536918e+00 -4.299687717e+00 -4.299687717e+00 -2.370929393e+00 -2.370929393e+00 -4.257464586e+00 -4.257464586e+00 2.40 -3.527434252e+00 -3.527434252e+00 -4.319334292e+00 -4.319334292e+00 -2.329195921e+00 -2.329195921e+00 -4.308514008e+00 -4.308514008e+00 2.42 -3.504566140e+00 -3.504566140e+00 -4.329376249e+00 -4.329376249e+00 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