# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co # implementation = 2025--Sharifi-H--Cr-Ni-Co--LAMMPS--ipr1 # composition = Co2Cr # 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 2025-07-01 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 4.158978059e+02 0.92 3.834638284e+02 0.94 3.512780875e+02 0.96 3.198598073e+02 0.98 2.897751522e+02 1.00 2.613887338e+02 1.02 2.349140787e+02 1.04 2.104528408e+02 1.06 1.880251783e+02 1.08 1.675932067e+02 1.10 1.490790068e+02 1.12 1.323783515e+02 1.14 1.173710742e+02 1.16 1.039288149e+02 1.18 9.192071436e+01 1.20 8.121751793e+01 1.22 7.169444855e+01 1.24 6.323313420e+01 1.26 5.572281599e+01 1.28 4.906101368e+01 1.30 4.315378834e+01 1.32 3.791571113e+01 1.34 3.326962333e+01 1.36 2.914625377e+01 1.38 2.548374309e+01 1.40 2.222711439e+01 1.42 1.932771846e+01 1.44 1.674267478e+01 1.46 1.443432409e+01 1.48 1.236970270e+01 1.50 1.052004594e+01 1.52 8.860325308e+00 1.54 7.368821196e+00 1.56 6.026731819e+00 1.58 4.817818671e+00 1.60 3.728086718e+00 1.62 2.745479108e+00 1.64 1.859483352e+00 1.66 1.060828406e+00 1.68 3.413255620e-01 1.70 -3.062639819e-01 1.72 -8.883451827e-01 1.74 -1.410590858e+00 1.76 -1.878032363e+00 1.78 -2.295181529e+00 1.80 -2.666174010e+00 1.82 -2.994819823e+00 1.84 -3.284629557e+00 1.86 -3.538838315e+00 1.88 -3.760427655e+00 1.90 -3.952145682e+00 1.92 -4.116525487e+00 1.94 -4.255902059e+00 1.96 -4.372427803e+00 1.98 -4.468086801e+00 2.00 -4.544707815e+00 2.02 -4.604043907e+00 2.04 -4.647981099e+00 2.06 -4.678279309e+00 2.08 -4.696502384e+00 2.10 -4.704039502e+00 2.12 -4.702124213e+00 2.14 -4.691851482e+00 2.16 -4.674192925e+00 2.18 -4.650010155e+00 2.20 -4.620065128e+00 2.22 -4.585032542e+00 2.24 -4.545510703e+00 2.26 -4.502030085e+00 2.28 -4.455060934e+00 2.30 -4.405020056e+00 2.32 -4.352276852e+00 2.34 -4.297158698e+00 2.36 -4.239955719e+00 2.38 -4.180925041e+00 2.40 -4.120294566e+00 2.42 -4.058266315e+00 2.44 -3.995019404e+00 2.46 -3.930723823e+00 2.48 -3.866267804e+00 2.50 -3.802425626e+00 2.52 -3.735462183e+00 2.54 -3.667915991e+00 2.56 -3.599874595e+00 2.58 -3.531415895e+00 2.60 -3.462609294e+00 2.62 -3.393516722e+00 2.64 -3.324193561e+00 2.66 -3.254689471e+00 2.68 -3.185049150e+00 2.70 -3.115313022e+00 2.72 -3.045517880e+00 2.74 -2.975697490e+00 2.76 -2.905883161e+00 2.78 -2.836104297e+00 2.80 -2.766388943e+00 2.82 -2.696764321e+00 2.84 -2.627257375e+00 2.86 -2.557895326e+00 2.88 -2.488706243e+00 2.90 -2.419719627e+00 2.92 -2.350967021e+00 2.94 -2.282482633e+00 2.96 -2.214303970e+00 2.98 -2.146472483e+00 3.00 -2.079034191e+00 3.02 -2.012040294e+00 3.04 -1.945547732e+00 3.06 -1.879619663e+00 3.08 -1.814325849e+00 3.10 -1.749742885e+00 3.12 -1.685954257e+00 3.14 -1.623050161e+00 3.16 -1.561127075e+00 3.18 -1.500287014e+00 3.20 -1.440636460e+00 3.22 -1.382284954e+00 3.24 -1.325343331e+00 3.26 -1.269921638e+00 3.28 -1.216126777e+00 3.30 -1.164059931e+00 3.32 -1.113813893e+00 3.34 -1.065470383e+00 3.36 -1.019097515e+00 3.38 -9.747475352e-01 3.40 -9.324549631e-01 3.42 -8.922352698e-01 3.44 -8.540841734e-01 3.46 -8.179776151e-01 3.48 -7.838724323e-01 3.50 -7.517077015e-01 3.52 -7.214066813e-01 3.54 -6.928792512e-01 3.56 -6.660247120e-01 3.58 -6.407347981e-01 3.60 -6.168967477e-01 3.62 -5.943962831e-01 3.64 -5.731203686e-01 3.66 -5.529596400e-01 3.68 -5.338104274e-01 3.70 -5.155763236e-01 3.72 -4.981692829e-01 3.74 -4.815102621e-01 3.76 -4.655294394e-01 3.78 -4.501660655e-01 3.80 -4.353680153e-01 3.82 -4.210911103e-01 3.84 -4.072982898e-01 3.86 -3.939586975e-01 3.88 -3.810467469e-01 3.90 -3.685412156e-01 3.92 -3.564244074e-01 3.94 -3.446814074e-01 3.96 -3.332994442e-01 3.98 -3.222673632e-01 4.00 -3.115752052e-01 4.02 -3.012138819e-01 4.04 -2.911749335e-01 4.06 -2.814503532e-01 4.08 -2.720324655e-01 4.10 -2.629138437e-01 4.12 -2.540872559e-01 4.14 -2.455456305e-01 4.16 -2.372820350e-01 4.18 -2.292896624e-01 4.20 -2.215618228e-01 4.22 -2.140919372e-01 4.24 -2.068735336e-01 4.26 -2.000774163e-01 4.28 -1.972773831e-01 4.30 -2.080621337e-01 4.32 -2.342915936e-01 4.34 -2.366378939e-01 4.36 -2.293960370e-01 4.38 -2.223440554e-01 4.40 -2.154784404e-01 4.42 -2.087956775e-01 4.44 -2.022922499e-01 4.46 -1.959646430e-01 4.48 -1.898093482e-01 4.50 -1.838228666e-01 4.52 -1.780017124e-01 4.54 -1.723424160e-01 4.56 -1.668415278e-01 4.58 -1.614956203e-01 4.60 -1.563012915e-01 4.62 -1.512551669e-01 4.64 -1.463539024e-01 4.66 -1.415941863e-01 4.68 -1.369727414e-01 4.70 -1.324863269e-01 4.72 -1.281317403e-01 4.74 -1.239058187e-01 4.76 -1.198054406e-01 4.78 -1.158275272e-01 4.80 -1.119690435e-01 4.82 -1.082269992e-01 4.84 -1.045984501e-01 4.86 -1.010804988e-01 4.88 -9.767029513e-02 4.90 -9.436503716e-02 4.92 -9.090380857e-02 4.94 -8.410754973e-02 4.96 -6.651218043e-02 4.98 -3.216129815e-02 5.00 -7.418885763e-25 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