# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Shim-J-H-Park-S-I-Cho-Y-W-Lee-B-J--Ni-W # implementation = 2003--Shim-J-H--Ni-W--LAMMPS--ipr1 # composition = NiW2 # 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 1.798977925e+03 0.86 1.673927130e+03 0.88 1.557210330e+03 0.90 1.448287361e+03 0.92 1.346652313e+03 0.94 1.251831397e+03 0.96 1.163380944e+03 0.98 1.080885527e+03 1.00 1.003956198e+03 1.02 9.322288333e+02 1.04 8.653625776e+02 1.06 8.030383894e+02 1.08 7.449576712e+02 1.10 6.908409856e+02 1.12 6.404268510e+02 1.14 5.934706110e+02 1.16 5.497433744e+02 1.18 5.090310197e+02 1.20 4.711332627e+02 1.22 4.358627806e+02 1.24 4.030443912e+02 1.26 3.725142832e+02 1.28 3.441192936e+02 1.30 3.177162312e+02 1.32 2.931712416e+02 1.34 2.703592117e+02 1.36 2.491632122e+02 1.38 2.294739742e+02 1.40 2.111893989e+02 1.42 1.942140984e+02 1.44 1.784589645e+02 1.46 1.638407656e+02 1.48 1.502817682e+02 1.50 1.377093828e+02 1.52 1.260558318e+02 1.54 1.152578382e+02 1.56 1.052563351e+02 1.58 9.599619178e+01 1.60 8.742595907e+01 1.62 7.949762949e+01 1.64 7.216641329e+01 1.66 6.539052864e+01 1.68 5.913100517e+01 1.70 5.335150004e+01 1.72 4.801812580e+01 1.74 4.309928925e+01 1.76 3.856554067e+01 1.78 3.438943264e+01 1.80 3.054538806e+01 1.82 2.700957652e+01 1.84 2.375979882e+01 1.86 2.077537873e+01 1.88 1.803706194e+01 1.90 1.552692144e+01 1.92 1.322826907e+01 1.94 1.112557280e+01 1.96 9.204379403e+00 1.98 7.451242152e+00 2.00 5.853653243e+00 2.02 4.399980615e+00 2.04 3.079408915e+00 2.06 1.881884327e+00 2.08 7.980630161e-01 2.10 -1.807370377e-01 2.12 -1.062581035e+00 2.14 -1.854959392e+00 2.16 -2.564827000e+00 2.18 -3.198639890e+00 2.20 -3.762389478e+00 2.22 -4.261647215e+00 2.24 -4.701695715e+00 2.26 -5.087112976e+00 2.28 -5.422305030e+00 2.30 -5.711467565e+00 2.32 -5.958406134e+00 2.34 -6.166645487e+00 2.36 -6.339449318e+00 2.38 -6.479838683e+00 2.40 -6.590609194e+00 2.42 -6.674347052e+00 2.44 -6.733444020e+00 2.46 -6.770111378e+00 2.48 -6.786392946e+00 2.50 -6.784177236e+00 2.52 -6.765208774e+00 2.54 -6.731098668e+00 2.56 -6.683334453e+00 2.58 -6.623289271e+00 2.60 -6.552230420e+00 2.62 -6.471327317e+00 2.64 -6.381658911e+00 2.66 -6.284220577e+00 2.68 -6.179930521e+00 2.70 -6.069635731e+00 2.72 -5.954117493e+00 2.74 -5.834096500e+00 2.76 -5.710237572e+00 2.78 -5.583154024e+00 2.80 -5.453411670e+00 2.82 -5.321532520e+00 2.84 -5.187998155e+00 2.86 -5.053252817e+00 2.88 -4.917706224e+00 2.90 -4.781736120e+00 2.92 -4.645690592e+00 2.94 -4.509890151e+00 2.96 -4.374629612e+00 2.98 -4.240179772e+00 3.00 -4.106788916e+00 3.02 -3.974684165e+00 3.04 -3.844072672e+00 3.06 -3.715142703e+00 3.08 -3.588064601e+00 3.10 -3.462991662e+00 3.12 -3.340060928e+00 3.14 -3.219393921e+00 3.16 -3.101097331e+00 3.18 -2.985263663e+00 3.20 -2.871971862e+00 3.22 -2.761287924e+00 3.24 -2.653265499e+00 3.26 -2.547946494e+00 3.28 -2.445361681e+00 3.30 -2.345531313e+00 3.32 -2.248465746e+00 3.34 -2.154166077e+00 3.36 -2.062624781e+00 3.38 -1.973826364e+00 3.40 -1.887748012e+00 3.42 -1.804360241e+00 3.44 -1.723627547e+00 3.46 -1.645509037e+00 3.48 -1.569959063e+00 3.50 -1.496927818e+00 3.52 -1.426361933e+00 3.54 -1.358205030e+00 3.56 -1.292398257e+00 3.58 -1.228880796e+00 3.60 -1.167590328e+00 3.62 -1.108463471e+00 3.64 -1.051436185e+00 3.66 -9.964441365e-01 3.68 -9.434230294e-01 3.70 -8.923089051e-01 3.72 -8.430384045e-01 3.74 -7.955490001e-01 3.76 -7.497791960e-01 3.78 -7.056686995e-01 3.80 -6.631585653e-01 3.82 -6.220785788e-01 3.84 -5.726640845e-01 3.86 -4.717340600e-01 3.88 -2.806149675e-01 3.90 -1.404889001e-01 3.92 -1.185978144e-01 3.94 -9.747061762e-02 3.96 -7.708262902e-02 3.98 -5.740989673e-02 4.00 -3.842920155e-02 4.02 -2.011805835e-02 4.04 -2.454715204e-03 4.06 1.458184939e-02 4.08 3.101193115e-02 4.10 4.685510619e-02 4.12 6.213023860e-02 4.14 7.685548930e-02 4.16 9.104832600e-02 4.18 1.047255340e-01 4.20 1.179032280e-01 4.22 1.305968646e-01 4.24 1.428212551e-01 4.26 1.545905794e-01 4.28 1.659184001e-01 4.30 1.768176768e-01 4.32 1.873007813e-01 4.34 1.973795128e-01 4.36 2.070651131e-01 4.38 2.163682832e-01 4.40 2.252991990e-01 4.42 2.330659013e-01 4.44 2.290545848e-01 4.46 1.861391404e-01 4.48 8.438390948e-02 4.50 -1.980115850e-23 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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