# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CrNi2 # 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 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 5.576811808e+04 1.02 4.391909223e+04 1.04 3.474317462e+04 1.06 2.760281936e+04 1.08 2.202055111e+04 1.10 1.763682243e+04 1.12 1.417946700e+04 1.14 1.144142043e+04 1.16 9.264378562e+03 1.18 7.526746522e+03 1.20 6.134703111e+03 1.22 5.015541140e+03 1.24 4.112677665e+03 1.26 3.381898494e+03 1.28 2.788518095e+03 1.30 2.305221373e+03 1.32 1.910418586e+03 1.34 1.586984556e+03 1.36 1.321287856e+03 1.38 1.102441789e+03 1.40 9.217237132e+02 1.42 7.721226125e+02 1.44 6.479859443e+02 1.46 5.447433174e+02 1.48 4.586888336e+02 1.50 3.868094585e+02 1.52 3.266485967e+02 1.54 2.761981252e+02 1.56 2.338121282e+02 1.58 1.981381181e+02 1.60 1.680623917e+02 1.62 1.426656025e+02 1.64 1.211867665e+02 1.66 1.029947918e+02 1.68 8.756523464e+01 1.70 7.446138192e+01 1.72 6.331893165e+01 1.74 5.383346386e+01 1.76 4.575004988e+01 1.78 3.885468610e+01 1.80 3.296749726e+01 1.82 2.793710566e+01 1.84 2.363579005e+01 1.86 1.995566305e+01 1.88 1.680551622e+01 1.90 1.410814907e+01 1.92 1.179815206e+01 1.94 9.819939565e+00 1.96 8.126102727e+00 1.98 6.676092797e+00 2.00 5.435299836e+00 2.02 4.374180344e+00 2.04 3.467492230e+00 2.06 2.693562193e+00 2.08 2.033810720e+00 2.10 1.472303155e+00 2.12 9.953502662e-01 2.14 5.911871650e-01 2.16 2.497022884e-01 2.18 -3.779172786e-02 2.20 -2.787518739e-01 2.22 -4.795960004e-01 2.24 -6.459348606e-01 2.26 -7.826239806e-01 2.28 -8.938431517e-01 2.30 -9.831903508e-01 2.32 -1.053755730e+00 2.34 -1.108185053e+00 2.36 -1.148788414e+00 2.38 -1.177633664e+00 2.40 -1.196519538e+00 2.42 -1.207003203e+00 2.44 -1.210429799e+00 2.46 -1.207957650e+00 2.48 -1.200579764e+00 2.50 -1.189142150e+00 2.52 -1.174359385e+00 2.54 -1.156827831e+00 2.56 -1.137036897e+00 2.58 -1.115398992e+00 2.60 -1.092287618e+00 2.62 -1.068009521e+00 2.64 -1.042817755e+00 2.66 -1.016959731e+00 2.68 -9.906605995e-01 2.70 -9.641119265e-01 2.72 -9.374659721e-01 2.74 -9.108419707e-01 2.76 -8.843395377e-01 2.78 -8.580414378e-01 2.80 -8.320155811e-01 2.82 -8.063166998e-01 2.84 -7.809877473e-01 2.86 -7.560610575e-01 2.88 -7.315638802e-01 2.90 -7.075292987e-01 2.92 -6.839878449e-01 2.94 -6.609659253e-01 2.96 -6.384863641e-01 2.98 -6.165688384e-01 3.00 -5.952302198e-01 3.02 -5.744848322e-01 3.04 -5.543446378e-01 3.06 -5.348193606e-01 3.08 -5.159165526e-01 3.10 -4.976416133e-01 3.12 -4.799977654e-01 3.14 -4.629859936e-01 3.16 -4.466048984e-01 3.18 -4.308471577e-01 3.20 -4.156978897e-01 3.22 -4.011402474e-01 3.24 -3.871557272e-01 3.26 -3.737238979e-01 3.28 -3.608221151e-01 3.30 -3.484252213e-01 3.32 -3.365071183e-01 3.34 -3.250466422e-01 3.36 -3.140225839e-01 3.38 -3.034116874e-01 3.40 -2.931883916e-01 3.42 -2.833245662e-01 3.44 -2.737892425e-01 3.46 -2.645498390e-01 3.48 -2.555888763e-01 3.50 -2.469002687e-01 3.52 -2.384787551e-01 3.54 -2.303196435e-01 3.56 -2.224187441e-01 3.58 -2.147722993e-01 3.60 -2.073769131e-01 3.62 -2.002294780e-01 3.64 -1.933271013e-01 3.66 -1.866670302e-01 3.68 -1.802465760e-01 3.70 -1.740630374e-01 3.72 -1.681136231e-01 3.74 -1.623953743e-01 3.76 -1.569050865e-01 3.78 -1.516392306e-01 3.80 -1.465938744e-01 3.82 -1.417646034e-01 3.84 -1.371464419e-01 3.86 -1.327337731e-01 3.88 -1.285202603e-01 3.90 -1.244987673e-01 3.92 -1.206612790e-01 3.94 -1.169988217e-01 3.96 -1.135013843e-01 3.98 -1.101578388e-01 4.00 -1.069558608e-01 4.02 -1.038818508e-01 4.04 -1.009208551e-01 4.06 -9.805831076e-02 4.08 -9.528800595e-02 4.10 -9.260667847e-02 4.12 -9.001118872e-02 4.14 -8.749851393e-02 4.16 -8.506574391e-02 4.18 -8.271007689e-02 4.20 -8.042881544e-02 4.22 -7.821936264e-02 4.24 -7.607921825e-02 4.26 -7.400597508e-02 4.28 -7.199731547e-02 4.30 -7.005100791e-02 4.32 -6.816490370e-02 4.34 -6.633693383e-02 4.36 -6.456510595e-02 4.38 -6.284750136e-02 4.40 -6.118227225e-02 4.42 -5.956763893e-02 4.44 -5.800188723e-02 4.46 -5.648336598e-02 4.48 -5.501029685e-02 4.50 -5.358024352e-02 4.52 -5.219073974e-02 4.54 -5.083948271e-02 4.56 -4.952432745e-02 4.58 -4.824328107e-02 4.60 -4.699449719e-02 4.62 -4.577627037e-02 4.64 -4.458703061e-02 4.66 -4.342533789e-02 4.68 -4.228987675e-02 4.70 -4.117945095e-02 4.72 -4.009297812e-02 4.74 -3.902948447e-02 4.76 -3.798809961e-02 4.78 -3.696805127e-02 4.80 -3.596866022e-02 4.82 -3.498933507e-02 4.84 -3.402956724e-02 4.86 -3.308892587e-02 4.88 -3.216705280e-02 4.90 -3.126365761e-02 4.92 -3.037851259e-02 4.94 -2.951144789e-02 4.96 -2.866234655e-02 4.98 -2.783113966e-02 5.00 -2.701780148e-02 5.02 -2.622234462e-02 5.04 -2.544481528e-02 5.06 -2.468528838e-02 5.08 -2.394386287e-02 5.10 -2.322065699e-02 5.12 -2.251580351e-02 5.14 -2.182944505e-02 5.16 -2.116170765e-02 5.18 -2.051222974e-02 5.20 -1.988021152e-02 5.22 -1.926491067e-02 5.24 -1.866565755e-02 5.26 -1.808184806e-02 5.28 -1.751293661e-02 5.30 -1.695842896e-02 5.32 -1.641787519e-02 5.34 -1.589086258e-02 5.36 -1.537700849e-02 5.38 -1.487595333e-02 5.40 -1.438735343e-02 5.42 -1.391087393e-02 5.44 -1.344618174e-02 5.46 -1.299293841e-02 5.48 -1.255079304e-02 5.50 -1.211937522e-02 5.52 -1.169828788e-02 5.54 -1.128710027e-02 5.56 -1.088534080e-02 5.58 -1.049249000e-02 5.60 -1.010797340e-02 5.62 -9.731154446e-03 5.64 -9.361327413e-03 5.66 -8.997710302e-03 5.68 -8.639437758e-03 5.70 -8.285553974e-03 5.72 -7.935008094e-03 5.74 -7.587112862e-03 5.76 -7.242140960e-03 5.78 -6.900510432e-03 5.80 -6.562655490e-03 5.82 -6.229023643e-03 5.84 -5.900072815e-03 5.86 -5.576268470e-03 5.88 -5.258080735e-03 5.90 -4.945981518e-03 5.92 -4.640441637e-03 5.94 -4.341927938e-03 5.96 -4.050900419e-03 5.98 -3.767809352e-03 6.00 -3.493092407e-03