# 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--ipr2 # composition = CoNi # 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 -4.117793783e+02 -4.117793783e+02 nan nan 0.82 nan nan nan nan -3.808812785e+02 -3.808812785e+02 nan nan 0.84 nan nan nan nan -3.517316680e+02 -3.517316680e+02 nan nan 0.86 nan nan nan nan -3.244787294e+02 -3.244787294e+02 nan nan 0.88 nan nan nan nan -2.991275515e+02 -2.991275515e+02 nan nan 0.90 -4.510253997e+02 -4.510253997e+02 nan nan -2.758804372e+02 -2.758804372e+02 nan nan 0.92 -4.216486307e+02 -4.216486307e+02 nan nan -2.544805779e+02 -2.544805779e+02 nan nan 0.94 -3.935986308e+02 -3.935986308e+02 nan nan -2.342232726e+02 -2.342232726e+02 nan nan 0.96 -3.669483423e+02 -3.669483423e+02 nan nan -2.148698957e+02 -2.148698957e+02 nan nan 0.98 -3.424083370e+02 -3.424083370e+02 nan nan -1.966706350e+02 -1.966706350e+02 nan nan 1.00 -3.199946549e+02 -3.199946549e+02 nan nan -1.796367920e+02 -1.796367920e+02 nan nan 1.02 -2.994578462e+02 -2.994578462e+02 -3.970938609e+02 -3.970938609e+02 -1.636565279e+02 -1.636565279e+02 -4.193360623e+02 -4.193360623e+02 1.04 -2.807254658e+02 -2.807254658e+02 -3.746999839e+02 -3.746999839e+02 -1.486958734e+02 -1.486958734e+02 -3.952960301e+02 -3.952960301e+02 1.06 -2.636997319e+02 -2.636997319e+02 -3.537927741e+02 -3.537927741e+02 -1.348244552e+02 -1.348244552e+02 -3.727858617e+02 -3.727858617e+02 1.08 -2.479116479e+02 -2.479116479e+02 -3.343983880e+02 -3.343983880e+02 -1.221841034e+02 -1.221841034e+02 -3.514439094e+02 -3.514439094e+02 1.10 -2.329699691e+02 -2.329699691e+02 -3.161277952e+02 -3.161277952e+02 -1.107527590e+02 -1.107527590e+02 -3.310944845e+02 -3.310944845e+02 1.12 -2.189659935e+02 -2.189659935e+02 -2.984990487e+02 -2.984990487e+02 -1.003732352e+02 -1.003732352e+02 -3.118251294e+02 -3.118251294e+02 1.14 -2.059963851e+02 -2.059963851e+02 -2.813772139e+02 -2.813772139e+02 -9.103831121e+01 -9.103831121e+01 -2.938215856e+02 -2.938215856e+02 1.16 -1.938522801e+02 -1.938522801e+02 -2.648093934e+02 -2.648093934e+02 -8.280507310e+01 -8.280507310e+01 -2.772204130e+02 -2.772204130e+02 1.18 -1.822221254e+02 -1.822221254e+02 -2.490594344e+02 -2.490594344e+02 -7.569467208e+01 -7.569467208e+01 -2.620236103e+02 -2.620236103e+02 1.20 -1.708698292e+02 -1.708698292e+02 -2.344999379e+02 -2.344999379e+02 -6.964763828e+01 -6.964763828e+01 -2.480687814e+02 -2.480687814e+02 1.22 -1.597114867e+02 -1.597114867e+02 -2.212453141e+02 -2.212453141e+02 -6.451411436e+01 -6.451411436e+01 -2.351635449e+02 -2.351635449e+02 1.24 -1.488003497e+02 -1.488003497e+02 -2.091393791e+02 -2.091393791e+02 -6.000848188e+01 -6.000848188e+01 -2.231632165e+02 -2.231632165e+02 1.26 -1.381841473e+02 -1.381841473e+02 -1.980179983e+02 -1.980179983e+02 -5.586241813e+01 -5.586241813e+01 -2.118917139e+02 -2.118917139e+02 1.28 -1.278251993e+02 -1.278251993e+02 -1.878108319e+02 -1.878108319e+02 -5.196144780e+01 -5.196144780e+01 -2.011699632e+02 -2.011699632e+02 1.30 -1.177083733e+02 -1.177083733e+02 -1.783297009e+02 -1.783297009e+02 -4.826833184e+01 -4.826833184e+01 -1.908443093e+02 -1.908443093e+02 1.32 -1.078605947e+02 -1.078605947e+02 -1.693368063e+02 -1.693368063e+02 -4.476779790e+01 -4.476779790e+01 -1.808587421e+02 -1.808587421e+02 1.34 -9.832317971e+01 -9.832317971e+01 -1.606400038e+02 -1.606400038e+02 -4.137992042e+01 -4.137992042e+01 -1.712194763e+02 -1.712194763e+02 1.36 -8.922978111e+01 -8.922978111e+01 -1.522142891e+02 -1.522142891e+02 -3.802610523e+01 -3.802610523e+01 -1.619199044e+02 -1.619199044e+02 1.38 -8.075336944e+01 -8.075336944e+01 -1.441299443e+02 -1.441299443e+02 -3.470695740e+01 -3.470695740e+01 -1.529710677e+02 -1.529710677e+02 1.40 -7.304252207e+01 -7.304252207e+01 -1.363700258e+02 -1.363700258e+02 -3.146146383e+01 -3.146146383e+01 -1.444169095e+02 -1.444169095e+02 1.42 -6.614404372e+01 -6.614404372e+01 -1.287822095e+02 -1.287822095e+02 -2.828297184e+01 -2.828297184e+01 -1.362633933e+02 -1.362633933e+02 1.44 -5.998188893e+01 -5.998188893e+01 -1.212279449e+02 -1.212279449e+02 -2.513609102e+01 -2.513609102e+01 -1.284541078e+02 -1.284541078e+02 1.46 -5.436974643e+01 -5.436974643e+01 -1.136270657e+02 -1.136270657e+02 -2.195221611e+01 -2.195221611e+01 -1.208834710e+02 -1.208834710e+02 1.48 -4.915379481e+01 -4.915379481e+01 -1.059689176e+02 -1.059689176e+02 -1.865769785e+01 -1.865769785e+01 -1.134730648e+02 -1.134730648e+02 1.50 -4.427897627e+01 -4.427897627e+01 -9.830962004e+01 -9.830962004e+01 -1.524730129e+01 -1.524730129e+01 -1.061886002e+02 -1.061886002e+02 1.52 -3.974128419e+01 -3.974128419e+01 -9.072788278e+01 -9.072788278e+01 -1.201045534e+01 -1.201045534e+01 -9.902408764e+01 -9.902408764e+01 1.54 -3.552946085e+01 -3.552946085e+01 -8.327820049e+01 -8.327820049e+01 -9.270063392e+00 -9.270063392e+00 -9.197163456e+01 -9.197163456e+01 1.56 -3.161673854e+01 -3.161673854e+01 -7.595318815e+01 -7.595318815e+01 -7.093597066e+00 -7.093597066e+00 -8.501465285e+01 -8.501465285e+01 1.58 -2.797614783e+01 -2.797614783e+01 -6.870574130e+01 -6.870574130e+01 -5.397634068e+00 -5.397634068e+00 -7.815400631e+01 -7.815400631e+01 1.60 -2.459417318e+01 -2.459417318e+01 -6.150614726e+01 -6.150614726e+01 -4.102037600e+00 -4.102037600e+00 -7.140152475e+01 -7.140152475e+01 1.62 -2.143424342e+01 -2.143424342e+01 -5.439593789e+01 -5.439593789e+01 -3.139672566e+00 -3.139672566e+00 -6.475318349e+01 -6.475318349e+01 1.64 -1.845388991e+01 -1.845388991e+01 -4.749381106e+01 -4.749381106e+01 -2.441285054e+00 -2.441285054e+00 -5.819593207e+01 -5.819593207e+01 1.66 -1.562898277e+01 -1.562898277e+01 -4.093195475e+01 -4.093195475e+01 -1.928894883e+00 -1.928894883e+00 -5.173895432e+01 -5.173895432e+01 1.68 -1.302543937e+01 -1.302543937e+01 -3.477535289e+01 -3.477535289e+01 -1.523661526e+00 -1.523661526e+00 -4.542794797e+01 -4.542794797e+01 1.70 -1.072623998e+01 -1.072623998e+01 -2.901834456e+01 -2.901834456e+01 -1.158037918e+00 -1.158037918e+00 -3.932726262e+01 -3.932726262e+01 1.72 -8.799140748e+00 -8.799140748e+00 -2.365682891e+01 -2.365682891e+01 -8.264586198e-01 -8.264586198e-01 -3.348659631e+01 -3.348659631e+01 1.74 -7.201285538e+00 -7.201285538e+00 -1.870236521e+01 -1.870236521e+01 -6.295478838e-01 -6.295478838e-01 -2.793634874e+01 -2.793634874e+01 1.76 -5.893752976e+00 -5.893752976e+00 -1.416247609e+01 -1.416247609e+01 -5.666946606e-01 -5.666946606e-01 -2.269545163e+01 -2.269545163e+01 1.78 -4.839977487e+00 -4.839977487e+00 -1.001115181e+01 -1.001115181e+01 -5.752238913e-01 -5.752238913e-01 -1.778285700e+01 -1.778285700e+01 1.80 -3.997975673e+00 -3.997975673e+00 -6.630737975e+00 -6.630737975e+00 -6.046620055e-01 -6.046620055e-01 -1.322816791e+01 -1.322816791e+01 1.82 -3.330315253e+00 -3.330315253e+00 -4.241530200e+00 -4.241530200e+00 -6.327401194e-01 -6.327401194e-01 -9.086151954e+00 -9.086151954e+00 1.84 -2.811014958e+00 -2.811014958e+00 -2.608874753e+00 -2.608874753e+00 -6.608553109e-01 -6.608553109e-01 -5.837000607e+00 -5.837000607e+00 1.86 -2.419943328e+00 -2.419943328e+00 -1.554118343e+00 -1.554118343e+00 -6.916730631e-01 -6.916730631e-01 -3.602266984e+00 -3.602266984e+00 1.88 -2.137926793e+00 -2.137926793e+00 -9.316761772e-01 -9.316761772e-01 -7.283461686e-01 -7.283461686e-01 -2.122848508e+00 -2.122848508e+00 1.90 -1.945238231e+00 -1.945238231e+00 -6.213232507e-01 -6.213232507e-01 -7.740292307e-01 -7.740292307e-01 -1.194067335e+00 -1.194067335e+00 1.92 -1.823221892e+00 -1.823221892e+00 -5.274274246e-01 -5.274274246e-01 -8.310952098e-01 -8.310952098e-01 -6.619859318e-01 -6.619859318e-01 1.94 -1.755228310e+00 -1.755228310e+00 -5.813871929e-01 -5.813871929e-01 -9.006372422e-01 -9.006372422e-01 -4.101876586e-01 -4.101876586e-01 1.96 -1.725072657e+00 -1.725072657e+00 -7.346914992e-01 -7.346914992e-01 -9.813653748e-01 -9.813653748e-01 -3.525839935e-01 -3.525839935e-01 1.98 -1.714528391e+00 -1.714528391e+00 -9.502407821e-01 -9.502407821e-01 -1.070624915e+00 -1.070624915e+00 -4.271398182e-01 -4.271398182e-01 2.00 -1.714730215e+00 -1.714730215e+00 -1.201217535e+00 -1.201217535e+00 -1.165958421e+00 -1.165958421e+00 -5.911477577e-01 -5.911477577e-01 2.02 -1.743377964e+00 -1.743377964e+00 -1.468961841e+00 -1.468961841e+00 -1.265344264e+00 -1.265344264e+00 -8.151420782e-01 -8.151420782e-01 2.04 -1.831978161e+00 -1.831978161e+00 -1.741663977e+00 -1.741663977e+00 -1.367458537e+00 -1.367458537e+00 -1.078019694e+00 -1.078019694e+00 2.06 -1.984548972e+00 -1.984548972e+00 -2.012570419e+00 -2.012570419e+00 -1.471554979e+00 -1.471554979e+00 -1.364028760e+00 -1.364028760e+00 2.08 -2.178908460e+00 -2.178908460e+00 -2.277996370e+00 -2.277996370e+00 -1.576660765e+00 -1.576660765e+00 -1.659917405e+00 -1.659917405e+00 2.10 -2.390801067e+00 -2.390801067e+00 -2.534587417e+00 -2.534587417e+00 -1.681207602e+00 -1.681207602e+00 -1.953949341e+00 -1.953949341e+00 2.12 -2.599127324e+00 -2.599127324e+00 -2.779600982e+00 -2.779600982e+00 -1.783841574e+00 -1.783841574e+00 -2.235481982e+00 -2.235481982e+00 2.14 -2.789524806e+00 -2.789524806e+00 -3.010390424e+00 -3.010390424e+00 -1.883399130e+00 -1.883399130e+00 -2.498231282e+00 -2.498231282e+00 2.16 -2.959550671e+00 -2.959550671e+00 -3.224035456e+00 -3.224035456e+00 -1.978664866e+00 -1.978664866e+00 -2.743803878e+00 -2.743803878e+00 2.18 -3.110075939e+00 -3.110075939e+00 -3.417348502e+00 -3.417348502e+00 -2.067918185e+00 -2.067918185e+00 -2.973738958e+00 -2.973738958e+00 2.20 -3.241330564e+00 -3.241330564e+00 -3.585817319e+00 -3.585817319e+00 -2.148724910e+00 -2.148724910e+00 -3.188190517e+00 -3.188190517e+00 2.22 -3.353415603e+00 -3.353415603e+00 -3.726915187e+00 -3.726915187e+00 -2.219106898e+00 -2.219106898e+00 -3.386735242e+00 -3.386735242e+00 2.24 -3.447338049e+00 -3.447338049e+00 -3.842950894e+00 -3.842950894e+00 -2.278860743e+00 -2.278860743e+00 -3.568718940e+00 -3.568718940e+00 2.26 -3.523086964e+00 -3.523086964e+00 -3.937866600e+00 -3.937866600e+00 -2.328250883e+00 -2.328250883e+00 -3.732402630e+00 -3.732402630e+00 2.28 -3.580397778e+00 -3.580397778e+00 -4.015167791e+00 -4.015167791e+00 -2.367927774e+00 -2.367927774e+00 -3.876544281e+00 -3.876544281e+00 2.30 -3.619386841e+00 -3.619386841e+00 -4.077260883e+00 -4.077260883e+00 -2.398930564e+00 -2.398930564e+00 -4.000865027e+00 -4.000865027e+00 2.32 -3.640608745e+00 -3.640608745e+00 -4.127082549e+00 -4.127082549e+00 -2.422518131e+00 -2.422518131e+00 -4.106163136e+00 -4.106163136e+00 2.34 -3.645430387e+00 -3.645430387e+00 -4.167453321e+00 -4.167453321e+00 -2.439765008e+00 -2.439765008e+00 -4.194026185e+00 -4.194026185e+00 2.36 -3.636217774e+00 -3.636217774e+00 -4.200833263e+00 -4.200833263e+00 -2.451499981e+00 -2.451499981e+00 -4.266239287e+00 -4.266239287e+00 2.38 -3.616093323e+00 -3.616093323e+00 -4.229174511e+00 -4.229174511e+00 -2.458316870e+00 -2.458316870e+00 -4.324149038e+00 -4.324149038e+00 2.40 -3.588103223e+00 -3.588103223e+00 -4.253355475e+00 -4.253355475e+00 -2.460545724e+00 -2.460545724e+00 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