# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Chrobak-D-Majtyka-Pilat-A-Ziolkowski-G-Chrobak-A--In-P # implementation = 2022--Chrobak-D--In-P--LAMMPS--ipr1 # composition = InP2 # 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 2023-02-07 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 2.361303211e+03 0.74 2.119639152e+03 0.76 1.906010966e+03 0.78 1.718411281e+03 0.80 1.550807556e+03 0.82 1.401805123e+03 0.84 1.270063936e+03 0.86 1.152156323e+03 0.88 1.046190360e+03 0.90 9.516926980e+02 0.92 8.670300015e+02 0.94 7.907956020e+02 0.96 7.212495685e+02 0.98 6.583655561e+02 1.00 6.023946377e+02 1.02 5.519755316e+02 1.04 5.061921592e+02 1.06 4.644680523e+02 1.08 4.263074336e+02 1.10 3.912551197e+02 1.12 3.595169590e+02 1.14 3.309378971e+02 1.16 3.048133133e+02 1.18 2.808881763e+02 1.20 2.590601195e+02 1.22 2.390655520e+02 1.24 2.206349272e+02 1.26 2.037191288e+02 1.28 1.881936565e+02 1.30 1.736511786e+02 1.32 1.601928425e+02 1.34 1.479727615e+02 1.36 1.369410083e+02 1.38 1.267896547e+02 1.40 1.174083298e+02 1.42 1.087336154e+02 1.44 1.007078698e+02 1.46 9.327387428e+01 1.48 8.635713992e+01 1.50 7.990760148e+01 1.52 7.391504579e+01 1.54 6.838218400e+01 1.56 6.329575778e+01 1.58 5.858870104e+01 1.60 5.421879466e+01 1.62 5.016065038e+01 1.64 4.639096926e+01 1.66 4.288835214e+01 1.68 3.961042312e+01 1.70 3.640372333e+01 1.72 3.332938177e+01 1.74 3.048895472e+01 1.76 2.795172272e+01 1.78 2.572966499e+01 1.80 2.367033876e+01 1.82 2.170363151e+01 1.84 1.982751688e+01 1.86 1.805680001e+01 1.88 1.642840187e+01 1.90 1.498188379e+01 1.92 1.367230178e+01 1.94 1.245323002e+01 1.96 1.131869801e+01 1.98 1.026313702e+01 2.00 9.281351445e+00 2.02 8.368492368e+00 2.04 7.520033170e+00 2.06 6.731746965e+00 2.08 5.999685766e+00 2.10 5.306734504e+00 2.12 4.634406749e+00 2.14 3.989514751e+00 2.16 3.383978319e+00 2.18 2.834336006e+00 2.20 2.355574260e+00 2.22 1.939681153e+00 2.24 1.556774998e+00 2.26 1.203684312e+00 2.28 8.784239744e-01 2.30 5.791367565e-01 2.32 3.040849251e-01 2.34 5.164242476e-02 2.36 -1.797124000e-01 2.38 -3.914035851e-01 2.40 -5.847638663e-01 2.42 -7.610405703e-01 2.44 -9.214011102e-01 2.46 -1.066938113e+00 2.48 -1.198674203e+00 2.50 -1.317566475e+00 2.52 -1.425943943e+00 2.54 -1.537440283e+00 2.56 -1.662633583e+00 2.58 -1.818689035e+00 2.60 -2.033591641e+00 2.62 -2.344633662e+00 2.64 -2.766875136e+00 2.66 -3.155939207e+00 2.68 -3.291235645e+00 2.70 -3.289765365e+00 2.72 -3.279967215e+00 2.74 -3.265979318e+00 2.76 -3.248168960e+00 2.78 -3.226878926e+00 2.80 -3.202428997e+00 2.82 -3.175117364e+00 2.84 -3.145221956e+00 2.86 -3.113001692e+00 2.88 -3.078697651e+00 2.90 -3.042534182e+00 2.92 -3.004719942e+00 2.94 -2.965448876e+00 2.96 -2.924901130e+00 2.98 -2.883243924e+00 3.00 -2.840632359e+00 3.02 -2.797210184e+00 3.04 -2.753110512e+00 3.06 -2.708456497e+00 3.08 -2.663361969e+00 3.10 -2.617932031e+00 3.12 -2.572263615e+00 3.14 -2.526446015e+00 3.16 -2.480561378e+00 3.18 -2.434685170e+00 3.20 -2.388886613e+00 3.22 -2.305330115e+00 3.24 -2.147522899e+00 3.26 -1.919014041e+00 3.28 -1.630717028e+00 3.30 -1.302696645e+00 3.32 -9.514083971e-01 3.34 -5.827263478e-01 3.36 -2.659278932e-01 3.38 -6.662851276e-02 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 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