# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Mahata-A-Mukhopadhyay-T-Asle-Zaeem-M--Al-Ni # implementation = 2022--Mahata-A--Al-Ni--LAMMPS--ipr1 # composition = AlNi2 # 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 6.419669768e+02 0.82 5.891704127e+02 0.84 5.413801142e+02 0.86 4.980524151e+02 0.88 4.587117111e+02 0.90 4.224968593e+02 0.92 3.886016967e+02 0.94 3.571178462e+02 0.96 3.280514759e+02 0.98 3.013401470e+02 1.00 2.768771093e+02 1.02 2.545289448e+02 1.04 2.341482144e+02 1.06 2.155823648e+02 1.08 1.986798572e+02 1.10 1.832942442e+02 1.12 1.692867468e+02 1.14 1.565277455e+02 1.16 1.448974996e+02 1.18 1.342863274e+02 1.20 1.245944204e+02 1.22 1.157314184e+02 1.24 1.076158386e+02 1.26 1.001744352e+02 1.28 9.335954491e+01 1.30 8.719533756e+01 1.32 8.160924249e+01 1.34 7.652097175e+01 1.36 7.185921917e+01 1.38 6.756189507e+01 1.40 6.357586483e+01 1.42 5.985636969e+01 1.44 5.636626022e+01 1.46 5.307513716e+01 1.48 4.995846650e+01 1.50 4.699671446e+01 1.52 4.417453333e+01 1.54 4.148001645e+01 1.56 3.890403205e+01 1.58 3.643963953e+01 1.60 3.408158754e+01 1.62 3.182588980e+01 1.64 2.966947315e+01 1.66 2.760989080e+01 1.68 2.564509366e+01 1.70 2.377325226e+01 1.72 2.199262202e+01 1.74 2.030144511e+01 1.76 1.869787296e+01 1.78 1.717988981e+01 1.80 1.574528530e+01 1.82 1.439165799e+01 1.84 1.311642910e+01 1.86 1.191686342e+01 1.88 1.079009483e+01 1.90 9.733154606e+00 1.92 8.743000692e+00 1.94 7.816546969e+00 1.96 6.950691357e+00 1.98 6.142342157e+00 2.00 5.388442127e+00 2.02 4.685989980e+00 2.04 4.032059149e+00 2.06 3.423813768e+00 2.08 2.858521900e+00 2.10 2.333566135e+00 2.12 1.846451705e+00 2.14 1.394812300e+00 2.16 9.764137891e-01 2.18 5.891560870e-01 2.20 2.310733549e-01 2.22 -9.966723950e-02 2.24 -4.047680005e-01 2.26 -6.858042435e-01 2.28 -9.442335080e-01 2.30 -1.181423303e+00 2.32 -1.398666954e+00 2.34 -1.597187728e+00 2.36 -1.778142395e+00 2.38 -1.942624621e+00 2.40 -2.091668185e+00 2.42 -2.226250043e+00 2.44 -2.347293246e+00 2.46 -2.455669704e+00 2.48 -2.552202827e+00 2.50 -2.637670023e+00 2.52 -2.712805083e+00 2.54 -2.778300443e+00 2.56 -2.834809334e+00 2.58 -2.882947826e+00 2.60 -2.923296773e+00 2.62 -2.956403656e+00 2.64 -2.982784342e+00 2.66 -3.002924744e+00 2.68 -3.017282409e+00 2.70 -3.026288021e+00 2.72 -3.030346830e+00 2.74 -3.029840006e+00 2.76 -3.025125930e+00 2.78 -3.016541416e+00 2.80 -3.004402875e+00 2.82 -2.989007413e+00 2.84 -2.970633882e+00 2.86 -2.949543872e+00 2.88 -2.925982654e+00 2.90 -2.900180073e+00 2.92 -2.872351399e+00 2.94 -2.842698132e+00 2.96 -2.811408765e+00 2.98 -2.778659511e+00 3.00 -2.744614985e+00 3.02 -2.709428861e+00 3.04 -2.673244488e+00 3.06 -2.636195473e+00 3.08 -2.598406241e+00 3.10 -2.559992555e+00 3.12 -2.521062019e+00 3.14 -2.481714551e+00 3.16 -2.442042823e+00 3.18 -2.402132694e+00 3.20 -2.362063604e+00 3.22 -2.321908959e+00 3.24 -2.281736486e+00 3.26 -2.241608575e+00 3.28 -2.201582603e+00 3.30 -2.161711235e+00 3.32 -2.122042716e+00 3.34 -2.082621140e+00 3.36 -2.043486710e+00 3.38 -2.004675979e+00 3.40 -1.966222084e+00 3.42 -1.928154961e+00 3.44 -1.890501549e+00 3.46 -1.853285989e+00 3.48 -1.816543477e+00 3.50 -1.780441618e+00 3.52 -1.745384867e+00 3.54 -1.712012414e+00 3.56 -1.681148348e+00 3.58 -1.653674465e+00 3.60 -1.630282212e+00 3.62 -1.611060564e+00 3.64 -1.594875509e+00 3.66 -1.578466429e+00 3.68 -1.555087829e+00 3.70 -1.524389956e+00 3.72 -1.494198745e+00 3.74 -1.464525408e+00 3.76 -1.435371207e+00 3.78 -1.406736514e+00 3.80 -1.378620883e+00 3.82 -1.351023112e+00 3.84 -1.323941305e+00 3.86 -1.297372930e+00 3.88 -1.271314874e+00 3.90 -1.245763488e+00 3.92 -1.220714644e+00 3.94 -1.196163771e+00 3.96 -1.172105900e+00 3.98 -1.148535704e+00 4.00 -1.125447178e+00 4.02 -1.102742695e+00 4.04 -1.079836154e+00 4.06 -1.055497888e+00 4.08 -1.027847339e+00 4.10 -9.942106690e-01 4.12 -9.507429550e-01 4.14 -8.917632794e-01 4.16 -8.089190478e-01 4.18 -6.907455255e-01 4.20 -5.243330628e-01 4.22 -3.040956774e-01 4.24 -6.589409602e-02 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 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