# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Zhang-Y-Ashcraft-R-Mendelev-M-I-et-al--Ni-Nb # implementation = 2016--Zhang-Y--Ni-Nb--LAMMPS--ipr1 # composition = NbNi2 # 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 nan 1.02 nan 1.04 4.240564934e+04 1.06 3.896923719e+04 1.08 3.578485978e+04 1.10 3.282987929e+04 1.12 3.008392972e+04 1.14 2.752876795e+04 1.16 2.514830680e+04 1.18 2.292820743e+04 1.20 2.085546561e+04 1.22 1.891819940e+04 1.24 1.710564857e+04 1.26 1.540795060e+04 1.28 1.381608274e+04 1.30 1.232182074e+04 1.32 1.091764710e+04 1.34 9.596735781e+03 1.36 8.352967663e+03 1.38 7.180906444e+03 1.40 6.075613713e+03 1.42 5.089463084e+03 1.44 4.279165826e+03 1.46 3.610993641e+03 1.48 3.057516683e+03 1.50 2.596830333e+03 1.52 2.211389727e+03 1.54 1.887121937e+03 1.56 1.612722148e+03 1.58 1.379096816e+03 1.60 1.178919889e+03 1.62 1.006274520e+03 1.64 8.563683356e+02 1.66 7.253295966e+02 1.68 6.100275575e+02 1.70 5.078701294e+02 1.72 4.167384337e+02 1.74 3.355716285e+02 1.76 2.685544035e+02 1.78 2.143738324e+02 1.80 1.706139080e+02 1.82 1.353091567e+02 1.84 1.068613314e+02 1.86 8.397114134e+01 1.88 6.558200485e+01 1.90 5.083474809e+01 1.92 3.903118574e+01 1.94 2.960430242e+01 1.96 2.209390472e+01 1.98 1.612681071e+01 2.00 1.140077629e+01 2.02 7.671238252e+00 2.04 4.740169547e+00 2.06 2.447158071e+00 2.08 6.622129774e-01 2.10 -7.198328791e-01 2.12 -1.780541844e+00 2.14 -2.586398457e+00 2.16 -3.193997500e+00 2.18 -3.648506307e+00 2.20 -3.985782799e+00 2.22 -4.234115521e+00 2.24 -4.415671609e+00 2.26 -4.547704785e+00 2.28 -4.643518272e+00 2.30 -4.713222298e+00 2.32 -4.764322503e+00 2.34 -4.802225107e+00 2.36 -4.830731634e+00 2.38 -4.852488191e+00 2.40 -4.869285343e+00 2.42 -4.882265184e+00 2.44 -4.892045532e+00 2.46 -4.898836332e+00 2.48 -4.902598178e+00 2.50 -4.903179906e+00 2.52 -4.900466546e+00 2.54 -4.894443422e+00 2.56 -4.885291325e+00 2.58 -4.873323119e+00 2.60 -4.858863472e+00 2.62 -4.842162459e+00 2.64 -4.823378420e+00 2.66 -4.802552063e+00 2.68 -4.779529972e+00 2.70 -4.754019219e+00 2.72 -4.725640890e+00 2.74 -4.694049445e+00 2.76 -4.659112403e+00 2.78 -4.620902679e+00 2.80 -4.579658815e+00 2.82 -4.535740605e+00 2.84 -4.489570654e+00 2.86 -4.441546902e+00 2.88 -4.392024798e+00 2.90 -4.341327032e+00 2.92 -4.289752203e+00 2.94 -4.237582040e+00 2.96 -4.185088127e+00 2.98 -4.132532035e+00 3.00 -4.080152392e+00 3.02 -4.028152376e+00 3.04 -3.976698797e+00 3.06 -3.925925394e+00 3.08 -3.875926161e+00 3.10 -3.826745997e+00 3.12 -3.778371344e+00 3.14 -3.730740988e+00 3.16 -3.683772697e+00 3.18 -3.637376293e+00 3.20 -3.591456303e+00 3.22 -3.545914693e+00 3.24 -3.500653539e+00 3.26 -3.455577555e+00 3.28 -3.410596495e+00 3.30 -3.365627384e+00 3.32 -3.320596592e+00 3.34 -3.275441698e+00 3.36 -3.230113133e+00 3.38 -3.184575560e+00 3.40 -3.138808951e+00 3.42 -3.092809313e+00 3.44 -3.046589012e+00 3.46 -3.000176645e+00 3.48 -2.953616390e+00 3.50 -2.906966762e+00 3.52 -2.860298714e+00 3.54 -2.813693001e+00 3.56 -2.767236715e+00 3.58 -2.721018908e+00 3.60 -2.675125209e+00 3.62 -2.629631680e+00 3.64 -2.584604036e+00 3.66 -2.540101351e+00 3.68 -2.496172887e+00 3.70 -2.452854709e+00 3.72 -2.410174525e+00 3.74 -2.368155291e+00 3.76 -2.326815113e+00 3.78 -2.286167063e+00 3.80 -2.246219080e+00 3.82 -2.206973950e+00 3.84 -2.168429357e+00 3.86 -2.130578021e+00 3.88 -2.093407907e+00 3.90 -2.056902509e+00 3.92 -2.021041209e+00 3.94 -1.985799698e+00 3.96 -1.951150467e+00 3.98 -1.917063348e+00 4.00 -1.883506114e+00 4.02 -1.850445122e+00 4.04 -1.817845990e+00 4.06 -1.785674308e+00 4.08 -1.753896363e+00 4.10 -1.722479885e+00 4.12 -1.691394778e+00 4.14 -1.660613847e+00 4.16 -1.630113505e+00 4.18 -1.599874231e+00 4.20 -1.569879657e+00 4.22 -1.540115537e+00 4.24 -1.510569329e+00 4.26 -1.481229866e+00 4.28 -1.452087458e+00 4.30 -1.423133983e+00 4.32 -1.394362923e+00 4.34 -1.365769375e+00 4.36 -1.337350035e+00 4.38 -1.309103172e+00 4.40 -1.281028581e+00 4.42 -1.253127518e+00 4.44 -1.225402632e+00 4.46 -1.197857875e+00 4.48 -1.170498411e+00 4.50 -1.143330511e+00 4.52 -1.116361446e+00 4.54 -1.089599372e+00 4.56 -1.063053212e+00 4.58 -1.036732527e+00 4.60 -1.010647397e+00 4.62 -9.848082840e-01 4.64 -9.592259063e-01 4.66 -9.339110990e-01 4.68 -9.088746741e-01 4.70 -8.841272914e-01 4.72 -8.596793049e-01 4.74 -8.355406161e-01 4.76 -8.117205303e-01 4.78 -7.882276032e-01 4.80 -7.650694513e-01 4.82 -7.422526215e-01 4.84 -7.197824031e-01 4.86 -6.976626219e-01 4.88 -6.758954491e-01 4.90 -6.544811980e-01 4.92 -6.334180915e-01 4.94 -6.127020175e-01 4.96 -5.923263006e-01 4.98 -5.722813900e-01 5.00 -5.525544983e-01 5.02 -5.331295550e-01 5.04 -5.139907323e-01 5.06 -4.951260601e-01 5.08 -4.765258781e-01 5.10 -4.581847147e-01 5.12 -4.400996606e-01 5.14 -4.222679565e-01 5.16 -4.046933967e-01 5.18 -3.873730169e-01 5.20 -3.703136375e-01 5.22 -3.535173922e-01 5.24 -3.369746422e-01 5.26 -3.207280627e-01 5.28 -3.045516092e-01 5.30 -2.885551781e-01 5.32 -2.732129002e-01 5.34 -2.588604320e-01 5.36 -2.457135064e-01 5.38 -2.327088186e-01 5.40 -2.188721007e-01 5.42 -2.039358404e-01 5.44 -1.882100039e-01 5.46 -1.720774695e-01 5.48 -1.555992573e-01 5.50 -1.387280922e-01 5.52 -1.216246021e-01 5.54 -1.045471203e-01 5.56 -8.786392495e-02 5.58 -7.226696588e-02 5.60 -5.817928875e-02 5.62 -4.577192713e-02 5.64 -3.505695095e-02 5.66 -2.595209102e-02 5.68 -1.832432826e-02 5.70 -1.201823945e-02 5.72 -6.873567778e-03 5.74 -2.735403189e-03 5.76 5.405168830e-04 5.78 3.085570126e-03 5.80 5.017800876e-03 5.82 6.442399639e-03 5.84 7.452557722e-03 5.86 8.130366581e-03 5.88 8.547586355e-03 5.90 8.766210551e-03 5.92 8.838817297e-03 5.94 8.808732760e-03 5.96 8.710048040e-03 5.98 8.567533904e-03 6.00 8.396493029e-03