# 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 = 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 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 3.501170297e+02 1.16 3.245430641e+02 1.18 3.008625061e+02 1.20 2.789189811e+02 1.22 2.585480226e+02 1.24 2.395909793e+02 1.26 2.219090362e+02 1.28 2.053906054e+02 1.30 1.899488594e+02 1.32 1.755139640e+02 1.34 1.620261060e+02 1.36 1.494288169e+02 1.38 1.376641959e+02 1.40 1.266745753e+02 1.42 1.164065066e+02 1.44 1.068101688e+02 1.46 9.783699624e+01 1.48 8.944122919e+01 1.50 8.158301288e+01 1.52 7.422756816e+01 1.54 6.734083846e+01 1.56 6.088634474e+01 1.58 5.482555299e+01 1.60 4.919530118e+01 1.62 4.405792783e+01 1.64 3.936204249e+01 1.66 3.506410478e+01 1.68 3.112916630e+01 1.70 2.752973297e+01 1.72 2.424361309e+01 1.74 2.125106575e+01 1.76 1.853229974e+01 1.78 1.606643340e+01 1.80 1.383208198e+01 1.82 1.180872925e+01 1.84 9.977888197e+00 1.86 8.323508081e+00 1.88 6.831553018e+00 1.90 5.489048268e+00 1.92 4.283162294e+00 1.94 3.200857202e+00 1.96 2.229228629e+00 1.98 1.356196735e+00 2.00 5.710815767e-01 2.02 -1.351892504e-01 2.04 -7.702110767e-01 2.06 -1.340404909e+00 2.08 -1.851341712e+00 2.10 -2.308005908e+00 2.12 -2.714968352e+00 2.14 -3.076467584e+00 2.16 -3.396418400e+00 2.18 -3.678382790e+00 2.20 -3.925540623e+00 2.22 -4.140683913e+00 2.24 -4.326240495e+00 2.26 -4.484322287e+00 2.28 -4.616791408e+00 2.30 -4.727428529e+00 2.32 -4.819884986e+00 2.34 -4.894635924e+00 2.36 -4.952327431e+00 2.38 -4.993796250e+00 2.40 -5.020057052e+00 2.42 -5.032276981e+00 2.44 -5.031739733e+00 2.46 -5.019800585e+00 2.48 -4.997836065e+00 2.50 -4.967195434e+00 2.52 -4.929158052e+00 2.54 -4.884896204e+00 2.56 -4.835446290e+00 2.58 -4.781679135e+00 2.60 -4.724279803e+00 2.62 -4.663745863e+00 2.64 -4.600407575e+00 2.66 -4.534460400e+00 2.68 -4.465927457e+00 2.70 -4.394738809e+00 2.72 -4.320846038e+00 2.74 -4.244228951e+00 2.76 -4.164890754e+00 2.78 -4.082849095e+00 2.80 -3.998128259e+00 2.82 -3.910757875e+00 2.84 -3.820782293e+00 2.86 -3.728281752e+00 2.88 -3.633403148e+00 2.90 -3.536394647e+00 2.92 -3.437635615e+00 2.94 -3.337651783e+00 2.96 -3.237106610e+00 2.98 -3.136764268e+00 3.00 -3.037427374e+00 3.02 -2.939860951e+00 3.04 -2.844719489e+00 3.06 -2.752493639e+00 3.08 -2.663570641e+00 3.10 -2.578326567e+00 3.12 -2.496917093e+00 3.14 -2.419302252e+00 3.16 -2.345312525e+00 3.18 -2.274704636e+00 3.20 -2.207203502e+00 3.22 -2.142530739e+00 3.24 -2.080422188e+00 3.26 -2.020637445e+00 3.28 -1.962964101e+00 3.30 -1.907218714e+00 3.32 -1.853245842e+00 3.34 -1.800915926e+00 3.36 -1.750122462e+00 3.38 -1.700778730e+00 3.40 -1.652814263e+00 3.42 -1.606171296e+00 3.44 -1.560801362e+00 3.46 -1.516662302e+00 3.48 -1.473715809e+00 3.50 -1.431925631e+00 3.52 -1.391256440e+00 3.54 -1.351673306e+00 3.56 -1.313141639e+00 3.58 -1.275627429e+00 3.60 -1.239097609e+00 3.62 -1.203520377e+00 3.64 -1.168865382e+00 3.66 -1.135103712e+00 3.68 -1.102207701e+00 3.70 -1.070150598e+00 3.72 -1.038906171e+00 3.74 -1.008448323e+00 3.76 -9.787507700e-01 3.78 -9.497868356e-01 3.80 -9.215293641e-01 3.82 -8.939507546e-01 3.84 -8.670231007e-01 3.86 -8.407184187e-01 3.88 -8.150089516e-01 3.90 -7.898675459e-01 3.92 -7.652681024e-01 3.94 -7.411861251e-01 3.96 -7.175993501e-01 3.98 -6.944884950e-01 4.00 -6.718380840e-01 4.02 -6.496373192e-01 4.04 -6.278809237e-01 4.06 -6.065698458e-01 4.08 -5.857116898e-01 4.10 -5.653207207e-01 4.12 -5.454173295e-01 4.14 -5.260268119e-01 4.16 -5.071775390e-01 4.18 -4.888985601e-01 4.20 -4.712168828e-01 4.22 -4.541547339e-01 4.24 -4.377271427e-01 4.26 -4.219401562e-01 4.28 -4.067898940e-01 4.30 -3.922625086e-01 4.32 -3.783349717e-01 4.34 -3.649764902e-01 4.36 -3.521502903e-01 4.38 -3.398155054e-01 4.40 -3.279289409e-01 4.42 -3.164465585e-01 4.44 -3.053245985e-01 4.46 -2.945203314e-01 4.48 -2.839924854e-01 4.50 -2.737014346e-01 4.52 -2.636092530e-01 4.54 -2.536797406e-01 4.56 -2.438785167e-01 4.58 -2.341732523e-01 4.60 -2.245340801e-01 4.62 -2.149342610e-01 4.64 -2.053509599e-01 4.66 -1.957662025e-01 4.68 -1.861686806e-01 4.70 -1.765547427e-01 4.72 -1.669254956e-01 4.74 -1.572914316e-01 4.76 -1.476727053e-01 4.78 -1.380987935e-01 4.80 -1.286077265e-01 4.82 -1.192448186e-01 4.84 -1.100608658e-01 4.86 -1.011098997e-01 4.88 -9.244661795e-02 4.90 -8.412369618e-02 4.92 -7.618920642e-02 4.94 -6.868436603e-02 4.96 -6.164180207e-02 4.98 -5.508445175e-02 5.00 -4.902514103e-02 5.02 -4.346680635e-02 5.04 -3.840326160e-02 5.06 -3.382037176e-02 5.08 -2.969747869e-02 5.10 -2.600893109e-02 5.12 -2.272559232e-02 5.14 -1.981623116e-02 5.16 -1.724873349e-02 5.18 -1.499110345e-02 5.20 -1.301224492e-02 5.22 -1.128254004e-02 5.24 -9.774242268e-03 5.26 -8.461640222e-03 5.28 -7.321085061e-03 5.30 -6.331600625e-03 5.32 -5.474321911e-03 5.34 -4.732376954e-03 5.36 -4.090786153e-03 5.38 -3.536329198e-03 5.40 -3.057395461e-03 5.42 -2.643829000e-03 5.44 -2.286775695e-03 5.46 -1.978537381e-03 5.48 -1.712435857e-03 5.50 -1.482688281e-03 5.52 -1.284294496e-03 5.54 -1.112936191e-03 5.56 -9.648873771e-04 5.58 -8.369354428e-04 5.60 -7.263118906e-04 5.62 -6.306318414e-04 5.64 -5.478413746e-04 5.66 -4.761718244e-04 5.68 -4.141002044e-04 5.70 -3.603150050e-04 5.72 -3.136866800e-04 5.74 -2.732422108e-04 5.76 -2.381432062e-04 5.78 -2.076670612e-04 5.80 -1.811907566e-04 5.82 -1.581769352e-04 5.84 -1.381619380e-04 5.86 -1.207455260e-04 5.88 -1.055820512e-04 5.90 -9.237287126e-05 5.92 -8.085983345e-05 5.94 -7.081967463e-05 5.96 -6.205920872e-05 5.98 -5.441118905e-05 6.00 -4.773075025e-05