# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPt2 # 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 1.317283885e+03 0.86 1.192844789e+03 0.88 1.080901294e+03 0.90 9.800772996e+02 0.92 8.891758999e+02 0.94 8.071408359e+02 0.96 7.330494352e+02 0.98 6.660844785e+02 1.00 6.055193325e+02 1.02 5.507123462e+02 1.04 5.010913489e+02 1.06 4.561443893e+02 1.08 4.154104390e+02 1.10 3.784832603e+02 1.12 3.449891247e+02 1.14 3.145946806e+02 1.16 2.870044253e+02 1.18 2.619494532e+02 1.20 2.391845996e+02 1.22 2.184882117e+02 1.24 1.996660434e+02 1.26 1.825384949e+02 1.28 1.669440153e+02 1.30 1.527346001e+02 1.32 1.397788431e+02 1.34 1.279575901e+02 1.36 1.171645496e+02 1.38 1.073024247e+02 1.40 9.828349011e+01 1.42 9.002791142e+01 1.44 8.246464942e+01 1.46 7.552901865e+01 1.48 6.916232625e+01 1.50 6.331212371e+01 1.52 5.793151987e+01 1.54 5.297790478e+01 1.56 4.841185313e+01 1.58 4.419846194e+01 1.60 4.030757641e+01 1.62 3.671133552e+01 1.64 3.338362209e+01 1.66 3.030129473e+01 1.68 2.744354302e+01 1.70 2.479135711e+01 1.72 2.233821113e+01 1.74 2.006969987e+01 1.76 1.797578821e+01 1.78 1.604256689e+01 1.80 1.425851063e+01 1.82 1.261299078e+01 1.84 1.106619985e+01 1.86 9.641492175e+00 1.88 8.309037861e+00 1.90 7.064684284e+00 1.92 5.904662453e+00 1.94 4.825152217e+00 1.96 3.822525773e+00 1.98 2.893291681e+00 2.00 2.034035721e+00 2.02 1.241416138e+00 2.04 5.121619608e-01 2.06 -1.571122637e-01 2.08 -7.688704202e-01 2.10 -1.326971457e+00 2.12 -1.834004246e+00 2.14 -2.293005642e+00 2.16 -2.706675293e+00 2.18 -3.077735986e+00 2.20 -3.408823342e+00 2.22 -3.702483456e+00 2.24 -3.961170949e+00 2.26 -4.187247377e+00 2.28 -4.382981557e+00 2.30 -4.550315878e+00 2.32 -4.691768740e+00 2.34 -4.809146820e+00 2.36 -4.904203483e+00 2.38 -4.978260994e+00 2.40 -5.033596976e+00 2.42 -5.071810495e+00 2.44 -5.094411526e+00 2.46 -5.102819793e+00 2.48 -5.098366892e+00 2.50 -5.082294441e+00 2.52 -5.056661683e+00 2.54 -5.022078550e+00 2.56 -4.979103281e+00 2.58 -4.928661896e+00 2.60 -4.871612994e+00 2.62 -4.808749738e+00 2.64 -4.740803461e+00 2.66 -4.668787892e+00 2.68 -4.593276651e+00 2.70 -4.513961706e+00 2.72 -4.430715969e+00 2.74 -4.344255879e+00 2.76 -4.256115858e+00 2.78 -4.166947673e+00 2.80 -4.076974168e+00 2.82 -3.986322385e+00 2.84 -3.895276546e+00 2.86 -3.804092042e+00 2.88 -3.712997716e+00 2.90 -3.622198120e+00 2.92 -3.531875510e+00 2.94 -3.442212883e+00 2.96 -3.353724450e+00 2.98 -3.266129513e+00 3.00 -3.179533023e+00 3.02 -3.094033562e+00 3.04 -3.009716688e+00 3.06 -2.926656224e+00 3.08 -2.844915355e+00 3.10 -2.764547343e+00 3.12 -2.685596642e+00 3.14 -2.608100257e+00 3.16 -2.532087313e+00 3.18 -2.457580566e+00 3.20 -2.384595365e+00 3.22 -2.313145137e+00 3.24 -2.243246933e+00 3.26 -2.175885856e+00 3.28 -2.110336444e+00 3.30 -2.046177344e+00 3.32 -1.983276625e+00 3.34 -1.921573023e+00 3.36 -1.861202473e+00 3.38 -1.802305833e+00 3.40 -1.744933837e+00 3.42 -1.689043619e+00 3.44 -1.634480345e+00 3.46 -1.581151337e+00 3.48 -1.529137425e+00 3.50 -1.478513994e+00 3.52 -1.429260613e+00 3.54 -1.381319085e+00 3.56 -1.334657276e+00 3.58 -1.289267851e+00 3.60 -1.245143378e+00 3.62 -1.202267886e+00 3.64 -1.160482495e+00 3.66 -1.119781252e+00 3.68 -1.080231409e+00 3.70 -1.041877865e+00 3.72 -1.004751676e+00 3.74 -9.688698407e-01 3.76 -9.342576338e-01 3.78 -9.010169287e-01 3.80 -8.689159257e-01 3.82 -8.377351141e-01 3.84 -8.073069503e-01 3.86 -7.775050023e-01 3.88 -7.482592465e-01 3.90 -7.195293940e-01 3.92 -6.912971490e-01 3.94 -6.635577655e-01 3.96 -6.362300185e-01 3.98 -6.093031038e-01 4.00 -5.827862023e-01 4.02 -5.568364886e-01 4.04 -5.315890138e-01 4.06 -5.071434569e-01 4.08 -4.835705108e-01 4.10 -4.609367870e-01 4.12 -4.393432199e-01 4.14 -4.186824685e-01 4.16 -3.988388909e-01 4.18 -3.797198485e-01 4.20 -3.612517828e-01 4.22 -3.433768473e-01 4.24 -3.260500304e-01 4.26 -3.092367117e-01 4.28 -2.929105857e-01 4.30 -2.770519198e-01 4.32 -2.616460940e-01 4.34 -2.466823437e-01 4.36 -2.321134524e-01 4.38 -2.179444531e-01 4.40 -2.042246594e-01 4.42 -1.909894054e-01 4.44 -1.782624833e-01 4.46 -1.660582140e-01 4.48 -1.543831954e-01 4.50 -1.432377818e-01 4.52 -1.326173290e-01 4.54 -1.225132400e-01 4.56 -1.129138418e-01 4.58 -1.038077387e-01 4.60 -9.572439779e-02 4.62 -8.859077258e-02 4.64 -8.182606009e-02 4.66 -7.541682227e-02 4.68 -6.934909085e-02 4.70 -6.360860422e-02 4.72 -5.818099949e-02 4.74 -5.305196649e-02 4.76 -4.820737111e-02 4.78 -4.363981594e-02 4.80 -3.936978420e-02 4.82 -3.637406515e-02 4.84 -3.359268164e-02 4.86 -3.097314265e-02 4.88 -2.850399670e-02 4.90 -2.617725545e-02 4.92 -2.398524775e-02 4.94 -2.192062712e-02 4.96 -1.997637456e-02 4.98 -1.814579751e-02 5.00 -1.642252577e-02 5.02 -1.480050509e-02 5.04 -1.327398909e-02 5.06 -1.183752960e-02 5.08 -1.048596632e-02 5.10 -9.214415650e-03 5.12 -8.018259269e-03 5.14 -6.893132437e-03 5.16 -5.834912318e-03 5.18 -4.839706404e-03 5.20 -3.903841113e-03 5.22 -3.023850649e-03 5.24 -2.196466215e-03 5.26 -1.418605587e-03 5.28 -6.878067223e-04 5.30 -1.072179896e-15 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