# 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 = CoNi2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 -4.147561848e+02 0.92 -3.859134748e+02 0.94 -3.594550885e+02 0.96 -3.349292025e+02 0.98 -3.122537909e+02 1.00 -2.912738732e+02 1.02 -2.717309304e+02 1.04 -2.534406605e+02 1.06 -2.363692959e+02 1.08 -2.205550271e+02 1.10 -2.058375845e+02 1.12 -1.919850129e+02 1.14 -1.790099704e+02 1.16 -1.670124242e+02 1.18 -1.560617229e+02 1.20 -1.461789088e+02 1.22 -1.372703496e+02 1.24 -1.291397288e+02 1.26 -1.216215104e+02 1.28 -1.146709607e+02 1.30 -1.082083106e+02 1.32 -1.021190666e+02 1.34 -9.625605223e+01 1.36 -9.053381430e+01 1.38 -8.495731193e+01 1.40 -7.954849449e+01 1.42 -7.426413942e+01 1.44 -6.903589103e+01 1.46 -6.378502930e+01 1.48 -5.845184829e+01 1.50 -5.303297753e+01 1.52 -4.757014130e+01 1.54 -4.212774796e+01 1.56 -3.674927685e+01 1.58 -3.145014031e+01 1.60 -2.622567939e+01 1.62 -2.108488045e+01 1.64 -1.607804290e+01 1.66 -1.129182134e+01 1.68 -7.413589702e+00 1.70 -4.673018467e+00 1.72 -2.790721320e+00 1.74 -1.545893867e+00 1.76 -7.613417159e-01 1.78 -2.935214421e-01 1.80 -3.281662522e-02 1.82 9.886370405e-02 1.84 1.435742879e-01 1.86 1.089347631e-01 1.88 2.086541988e-02 1.90 -1.008426435e-01 1.92 -2.656098788e-01 1.94 -4.769705786e-01 1.96 -7.183474761e-01 1.98 -9.731131427e-01 2.00 -1.229705007e+00 2.02 -1.480396301e+00 2.04 -1.720664393e+00 2.06 -1.948548467e+00 2.08 -2.163528640e+00 2.10 -2.365978521e+00 2.12 -2.556801129e+00 2.14 -2.736194301e+00 2.16 -2.903348137e+00 2.18 -3.056555104e+00 2.20 -3.192479796e+00 2.22 -3.308512529e+00 2.24 -3.404831772e+00 2.26 -3.482675126e+00 2.28 -3.543600716e+00 2.30 -3.589493450e+00 2.32 -3.622615365e+00 2.34 -3.644954913e+00 2.36 -3.658159741e+00 2.38 -3.663548038e+00 2.40 -3.661915980e+00 2.42 -3.653860245e+00 2.44 -3.640028501e+00 2.46 -3.621122362e+00 2.48 -3.597969377e+00 2.50 -3.571446323e+00 2.52 -3.541819846e+00 2.54 -3.508876279e+00 2.56 -3.472306013e+00 2.58 -3.431880157e+00 2.60 -3.387687310e+00 2.62 -3.339955779e+00 2.64 -3.288936161e+00 2.66 -3.234615109e+00 2.68 -3.176891132e+00 2.70 -3.115803609e+00 2.72 -3.051565172e+00 2.74 -2.984507039e+00 2.76 -2.915012518e+00 2.78 -2.843478096e+00 2.80 -2.770353287e+00 2.82 -2.695969396e+00 2.84 -2.620430079e+00 2.86 -2.543583864e+00 2.88 -2.465058469e+00 2.90 -2.384430992e+00 2.92 -2.301786783e+00 2.94 -2.217622010e+00 2.96 -2.132497566e+00 2.98 -2.047059677e+00 3.00 -1.961981477e+00 3.02 -1.877916890e+00 3.04 -1.795454315e+00 3.06 -1.714920538e+00 3.08 -1.636440360e+00 3.10 -1.560054052e+00 3.12 -1.485827602e+00 3.14 -1.413868791e+00 3.16 -1.344329553e+00 3.18 -1.277396935e+00 3.20 -1.213192738e+00 3.22 -1.151776898e+00 3.24 -1.093202419e+00 3.26 -1.037513566e+00 3.28 -9.847330782e-01 3.30 -9.348435363e-01 3.32 -8.877653486e-01 3.34 -8.433395345e-01 3.36 -8.013395569e-01 3.38 -7.614812229e-01 3.40 -7.234821846e-01 3.42 -6.871915656e-01 3.44 -6.524998879e-01 3.46 -6.193289947e-01 3.48 -5.876353757e-01 3.50 -5.574038882e-01 3.52 -5.286377517e-01 3.54 -5.013487838e-01 3.56 -4.755489474e-01 3.58 -4.512191092e-01 3.60 -4.282904110e-01 3.62 -4.066874606e-01 3.64 -3.863344471e-01 3.66 -3.671695386e-01 3.68 -3.491358060e-01 3.70 -3.321746539e-01 3.72 -3.162259481e-01 3.74 -3.012281154e-01 3.76 -2.871182634e-01 3.78 -2.738321266e-01 3.80 -2.613043360e-01 3.82 -2.494683557e-01 3.84 -2.382565928e-01 3.86 -2.276039478e-01 3.88 -2.174750843e-01 3.90 -2.078500842e-01 3.92 -1.987091762e-01 3.94 -1.900322476e-01 3.96 -1.817989417e-01 3.98 -1.739887187e-01 4.00 -1.665809716e-01 4.02 -1.595550133e-01 4.04 -1.528899900e-01 4.06 -1.465649209e-01 4.08 -1.405587764e-01 4.10 -1.348502455e-01 4.12 -1.294178216e-01 4.14 -1.242298246e-01 4.16 -1.192384735e-01 4.18 -1.143942778e-01 4.20 -1.096528879e-01 4.22 -1.049982655e-01 4.24 -1.004237276e-01 4.26 -9.592256727e-02 4.28 -9.148766732e-02 4.30 -8.711205918e-02 4.32 -8.278854534e-02 4.34 -7.851003097e-02 4.36 -7.426962849e-02 4.38 -7.006080631e-02 4.40 -6.587779045e-02 4.42 -6.171570619e-02 4.44 -5.757121992e-02 4.46 -5.344305535e-02 4.48 -4.933252170e-02 4.50 -4.524455139e-02 4.52 -4.118829374e-02 4.54 -3.717821029e-02 4.56 -3.323497330e-02 4.58 -2.938489897e-02 4.60 -2.565979090e-02 4.62 -2.209588376e-02 4.64 -1.873198881e-02 4.66 -1.560666278e-02 4.68 -1.275492682e-02 4.70 -1.020428868e-02 4.72 -7.971692508e-03 4.74 -6.060813530e-03 4.76 -4.461137436e-03 4.78 -3.139852129e-03 4.80 -2.052531891e-03 4.82 -1.167757374e-03 4.84 -4.537971596e-04 4.86 1.213354099e-04 4.88 5.870175857e-04 4.90 9.682303106e-04 4.92 1.284547388e-03 4.94 1.547857040e-03 4.96 1.778996588e-03 4.98 1.998806369e-03 5.00 2.216732342e-03 5.02 2.432534673e-03 5.04 2.639207164e-03 5.06 2.834746126e-03 5.08 3.019575947e-03 5.10 3.191301062e-03 5.12 3.346246075e-03 5.14 3.480781979e-03 5.16 3.592573726e-03 5.18 3.681585202e-03 5.20 3.750607624e-03 5.22 3.805444747e-03 5.24 3.854954756e-03 5.26 3.908087420e-03 5.28 3.971454085e-03 5.30 4.047386499e-03 5.32 4.132652367e-03 5.34 4.218386136e-03 5.36 4.290845564e-03 5.38 4.333360828e-03 5.40 4.328931179e-03 5.42 4.263157786e-03 5.44 4.126730732e-03 5.46 3.917274133e-03 5.48 3.640283086e-03 5.50 3.309020058e-03 5.52 2.943461846e-03 5.54 2.563475781e-03 5.56 2.179895003e-03 5.58 1.803906042e-03 5.60 1.446972711e-03 5.62 1.119562468e-03 5.64 8.301671111e-04 5.66 5.846414840e-04 5.68 3.859304298e-04 5.70 2.339311656e-04 5.72 1.258938616e-04 5.74 5.651804422e-05 5.76 1.848720148e-05 5.78 2.974977422e-06 5.80 8.688029317e-09 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00