# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgCo2 # 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 2024-04-11 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 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 2.177897555e+02 1.16 1.999070038e+02 1.18 1.835224878e+02 1.20 1.684973739e+02 1.22 1.547085136e+02 1.24 1.420463636e+02 1.26 1.304134304e+02 1.28 1.197222932e+02 1.30 1.098934367e+02 1.32 1.008538225e+02 1.34 9.253645004e+01 1.36 8.488022358e+01 1.38 7.782962047e+01 1.40 7.133429100e+01 1.42 6.534850427e+01 1.44 5.983034357e+01 1.46 5.474112360e+01 1.48 5.004631428e+01 1.50 4.571633364e+01 1.52 4.172416009e+01 1.54 3.804361311e+01 1.56 3.465043987e+01 1.58 3.152251517e+01 1.60 2.863958559e+01 1.62 2.598297745e+01 1.64 2.353531893e+01 1.66 2.128035697e+01 1.68 1.920291840e+01 1.70 1.728896765e+01 1.72 1.552562514e+01 1.74 1.390106469e+01 1.76 1.240436714e+01 1.78 1.102546721e+01 1.80 9.755213599e+00 1.82 8.585421772e+00 1.84 7.508808104e+00 1.86 6.518811879e+00 1.88 5.609382504e+00 1.90 4.774799057e+00 1.92 4.009560367e+00 1.94 3.308362874e+00 1.96 2.666152810e+00 1.98 2.078205246e+00 2.00 1.540181598e+00 2.02 1.048147986e+00 2.04 5.985593113e-01 2.06 1.882168427e-01 2.08 -1.857909956e-01 2.10 -5.261503744e-01 2.12 -8.353722643e-01 2.14 -1.115822115e+00 2.16 -1.369726301e+00 2.18 -1.599159804e+00 2.20 -1.806078833e+00 2.22 -1.992293273e+00 2.24 -2.159189702e+00 2.26 -2.308027347e+00 2.28 -2.439976273e+00 2.30 -2.556135564e+00 2.32 -2.657548359e+00 2.34 -2.745207403e+00 2.36 -2.819934904e+00 2.38 -2.882394441e+00 2.40 -2.933265781e+00 2.42 -2.973246688e+00 2.44 -3.003047636e+00 2.46 -3.023388686e+00 2.48 -3.034995984e+00 2.50 -3.038596293e+00 2.52 -3.034910768e+00 2.54 -3.024651389e+00 2.56 -3.008612772e+00 2.58 -2.987537281e+00 2.60 -2.961936503e+00 2.62 -2.932340784e+00 2.64 -2.899275089e+00 2.66 -2.863226647e+00 2.68 -2.824619031e+00 2.70 -2.783800187e+00 2.72 -2.741052272e+00 2.74 -2.696600127e+00 2.76 -2.650619013e+00 2.78 -2.603250639e+00 2.80 -2.554615787e+00 2.82 -2.504822718e+00 2.84 -2.453972172e+00 2.86 -2.402160369e+00 2.88 -2.349481460e+00 2.90 -2.296030641e+00 2.92 -2.241908783e+00 2.94 -2.187228820e+00 2.96 -2.132123383e+00 2.98 -2.076752198e+00 3.00 -2.021306833e+00 3.02 -1.966010000e+00 3.04 -1.911107312e+00 3.06 -1.856851459e+00 3.08 -1.803481515e+00 3.10 -1.751202297e+00 3.12 -1.700168955e+00 3.14 -1.650480165e+00 3.16 -1.602180274e+00 3.18 -1.555268281e+00 3.20 -1.509710315e+00 3.22 -1.465452467e+00 3.24 -1.422431865e+00 3.26 -1.380584973e+00 3.28 -1.339852973e+00 3.30 -1.300184646e+00 3.32 -1.261537331e+00 3.34 -1.223876610e+00 3.36 -1.187175233e+00 3.38 -1.151411708e+00 3.40 -1.116568826e+00 3.42 -1.082632299e+00 3.44 -1.049589582e+00 3.46 -1.017428925e+00 3.48 -9.861386257e-01 3.50 -9.557064720e-01 3.52 -9.261193337e-01 3.54 -8.973628800e-01 3.56 -8.694214000e-01 3.58 -8.422777121e-01 3.60 -8.159131559e-01 3.62 -7.903076646e-01 3.64 -7.654399168e-01 3.66 -7.412875633e-01 3.68 -7.178275211e-01 3.70 -6.950363175e-01 3.72 -6.728904617e-01 3.74 -6.513668140e-01 3.76 -6.304429227e-01 3.78 -6.100972993e-01 3.80 -5.903096129e-01 3.82 -5.710607898e-01 3.84 -5.523330192e-01 3.86 -5.341096723e-01 3.88 -5.163751507e-01 3.90 -4.991146839e-01 3.92 -4.823140988e-01 3.94 -4.659595838e-01 3.96 -4.500374682e-01 3.98 -4.345340415e-01 4.00 -4.194354293e-01 4.02 -4.047275473e-01 4.04 -3.903961505e-01 4.06 -3.764269930e-01 4.08 -3.628061111e-01 4.10 -3.495202334e-01 4.12 -3.365573212e-01 4.14 -3.239071963e-01 4.16 -3.115622417e-01 4.18 -2.995180817e-01 4.20 -2.877741512e-01 4.22 -2.763340341e-01 4.24 -2.652054485e-01 4.26 -2.543997782e-01 4.28 -2.439311110e-01 4.30 -2.338148265e-01 4.32 -2.240658719e-01 4.34 -2.146969489e-01 4.36 -2.057168655e-01 4.38 -1.971292902e-01 4.40 -1.889320636e-01 4.42 -1.811171164e-01 4.44 -1.736709295e-01 4.46 -1.665753966e-01 4.48 -1.598089106e-01 4.50 -1.533475036e-01 4.52 -1.471659076e-01 4.54 -1.412384522e-01 4.56 -1.355397627e-01 4.58 -1.300452620e-01 4.60 -1.247315042e-01 4.62 -1.195763769e-01 4.64 -1.145592200e-01 4.66 -1.096608984e-01 4.68 -1.048638654e-01 4.70 -1.001522454e-01 4.72 -9.551195437e-02 4.74 -9.093087136e-02 4.76 -8.639906395e-02 4.78 -8.190906068e-02 4.80 -7.745615323e-02 4.82 -7.303870564e-02 4.84 -6.865841869e-02 4.86 -6.432052079e-02 4.88 -6.003382014e-02 4.90 -5.581057574e-02 4.92 -5.166614955e-02 4.94 -4.761842409e-02 4.96 -4.368699872e-02 4.98 -3.989220979e-02 5.00 -3.625405028e-02 5.02 -3.279108467e-02 5.04 -2.951945784e-02 5.06 -2.645208869e-02 5.08 -2.359782233e-02 5.10 -2.096141805e-02 5.12 -1.854427487e-02 5.14 -1.634386551e-02 5.16 -1.435417995e-02 5.18 -1.256631891e-02 5.20 -1.096914536e-02 5.22 -9.549936836e-03 5.24 -8.294994835e-03 5.26 -7.190181898e-03 5.28 -6.221370345e-03 5.30 -5.374797678e-03 5.32 -4.637331864e-03 5.34 -3.996655138e-03 5.36 -3.441377903e-03 5.38 -2.961095471e-03 5.40 -2.546400078e-03 5.42 -2.188859578e-03 5.44 -1.880972648e-03 5.46 -1.616108631e-03 5.48 -1.388438494e-03 5.50 -1.192861844e-03 5.52 -1.024933616e-03 5.54 -8.807930049e-04 5.56 -7.570963029e-04 5.58 -6.509546560e-04 5.60 -5.598772611e-04 5.62 -4.817201500e-04 5.64 -4.146404646e-04 5.66 -3.570559629e-04 5.68 -3.076093948e-04 5.70 -2.651373346e-04 5.72 -2.286430373e-04 5.74 -1.972728883e-04 5.76 -1.702960372e-04 5.78 -1.470868303e-04 5.80 -1.271096913e-04 5.82 -1.099061315e-04 5.84 -9.508360759e-05 5.86 -8.230597390e-05 5.88 -7.128530985e-05 5.90 -6.177492951e-05 5.92 -5.356340560e-05 5.94 -4.646946284e-05 5.96 -4.033761544e-05 5.98 -3.503444091e-05 6.00 -3.044539759e-05