# 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 = MoPt2 # 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 4.767227108e+02 1.16 4.431876561e+02 1.18 4.121788998e+02 1.20 3.835022052e+02 1.22 3.569330742e+02 1.24 3.322429731e+02 1.26 3.092260571e+02 1.28 2.877126872e+02 1.30 2.675685909e+02 1.32 2.486881826e+02 1.34 2.309904250e+02 1.36 2.144143031e+02 1.38 1.989100910e+02 1.40 1.844308588e+02 1.42 1.709264778e+02 1.44 1.583384617e+02 1.46 1.465985176e+02 1.48 1.356338533e+02 1.50 1.253748147e+02 1.52 1.157585556e+02 1.54 1.067282908e+02 1.56 9.823162938e+01 1.58 9.021999589e+01 1.60 8.264867831e+01 1.62 7.547683620e+01 1.64 6.866770642e+01 1.66 6.219156240e+01 1.68 5.602760668e+01 1.70 5.028342294e+01 1.72 4.499839261e+01 1.74 4.014999150e+01 1.76 3.571666940e+01 1.78 3.167549513e+01 1.80 2.800183306e+01 1.82 2.467028207e+01 1.84 2.165573768e+01 1.86 1.893395515e+01 1.88 1.648151786e+01 1.90 1.427541092e+01 1.92 1.229261754e+01 1.94 1.051018629e+01 1.96 8.905891156e+00 1.98 7.459159468e+00 2.00 6.151790466e+00 2.02 4.968200631e+00 2.04 3.895236096e+00 2.06 2.921749727e+00 2.08 2.038132523e+00 2.10 1.235914138e+00 2.12 5.074821139e-01 2.14 -1.540710750e-01 2.16 -7.549935381e-01 2.18 -1.300856944e+00 2.20 -1.796530762e+00 2.22 -2.246187490e+00 2.24 -2.653351723e+00 2.26 -3.020984013e+00 2.28 -3.351582604e+00 2.30 -3.647289114e+00 2.32 -3.909990747e+00 2.34 -4.141416082e+00 2.36 -4.343222839e+00 2.38 -4.517074496e+00 2.40 -4.664700258e+00 2.42 -4.788153418e+00 2.44 -4.892232076e+00 2.46 -4.978921390e+00 2.48 -5.049508280e+00 2.50 -5.105445397e+00 2.52 -5.148259555e+00 2.54 -5.179485975e+00 2.56 -5.200591233e+00 2.58 -5.212893924e+00 2.60 -5.217499735e+00 2.62 -5.215171238e+00 2.64 -5.206311744e+00 2.66 -5.191196881e+00 2.68 -5.170023374e+00 2.70 -5.142937403e+00 2.72 -5.110057366e+00 2.74 -5.071488501e+00 2.76 -5.027330287e+00 2.78 -4.977679459e+00 2.80 -4.922632178e+00 2.82 -4.862288544e+00 2.84 -4.796762115e+00 2.86 -4.726195704e+00 2.88 -4.650783046e+00 2.90 -4.570793501e+00 2.92 -4.486594245e+00 2.94 -4.398662284e+00 2.96 -4.307578522e+00 2.98 -4.213999168e+00 3.00 -4.118605991e+00 3.02 -4.022044297e+00 3.04 -3.924862601e+00 3.06 -3.827468114e+00 3.08 -3.730106844e+00 3.10 -3.632869566e+00 3.12 -3.535717788e+00 3.14 -3.438520712e+00 3.16 -3.341094325e+00 3.18 -3.243236535e+00 3.20 -3.144755388e+00 3.22 -3.045493944e+00 3.24 -2.945504636e+00 3.26 -2.845091922e+00 3.28 -2.744594615e+00 3.30 -2.644379487e+00 3.32 -2.544845121e+00 3.34 -2.446419359e+00 3.36 -2.349550983e+00 3.38 -2.254696473e+00 3.40 -2.162303060e+00 3.42 -2.072789809e+00 3.44 -1.986528756e+00 3.46 -1.903828280e+00 3.48 -1.824920577e+00 3.50 -1.749954541e+00 3.52 -1.678994591e+00 3.54 -1.612025135e+00 3.56 -1.548959664e+00 3.58 -1.489653041e+00 3.60 -1.433915380e+00 3.62 -1.381526045e+00 3.64 -1.332246592e+00 3.66 -1.285831891e+00 3.68 -1.242039028e+00 3.70 -1.200633931e+00 3.72 -1.161395879e+00 3.74 -1.124120207e+00 3.76 -1.088619565e+00 3.78 -1.054724090e+00 3.80 -1.022280834e+00 3.82 -9.911527134e-01 3.84 -9.612172108e-01 3.86 -9.323650083e-01 3.88 -9.044986661e-01 3.90 -8.775314455e-01 3.92 -8.513863294e-01 3.94 -8.259952824e-01 3.96 -8.012987404e-01 3.98 -7.772453481e-01 4.00 -7.537918882e-01 4.02 -7.309033569e-01 4.04 -7.085530967e-01 4.06 -6.867228810e-01 4.08 -6.654028184e-01 4.10 -6.445909392e-01 4.12 -6.242923746e-01 4.14 -6.045179775e-01 4.16 -5.852824902e-01 4.18 -5.666022694e-01 4.20 -5.484927876e-01 4.22 -5.309661604e-01 4.24 -5.140289795e-01 4.26 -4.976806922e-01 4.28 -4.819126845e-01 4.30 -4.667081043e-01 4.32 -4.520423490e-01 4.34 -4.378840534e-01 4.36 -4.241963764e-01 4.38 -4.109383893e-01 4.40 -3.980664071e-01 4.42 -3.855351597e-01 4.44 -3.732987487e-01 4.46 -3.613114129e-01 4.48 -3.495281414e-01 4.50 -3.379050845e-01 4.52 -3.264002118e-01 4.54 -3.149753867e-01 4.56 -3.035911594e-01 4.58 -2.922112334e-01 4.60 -2.808038108e-01 4.62 -2.693419855e-01 4.64 -2.578044751e-01 4.66 -2.461765898e-01 4.68 -2.344513376e-01 4.70 -2.226305577e-01 4.72 -2.107259511e-01 4.74 -1.987598683e-01 4.76 -1.867657005e-01 4.78 -1.747877310e-01 4.80 -1.628803318e-01 4.82 -1.511064497e-01 4.84 -1.395353807e-01 4.86 -1.282399565e-01 4.88 -1.172933144e-01 4.90 -1.067655159e-01 4.92 -9.672030283e-02 4.94 -8.721227846e-02 4.96 -7.828474633e-02 4.98 -6.996835961e-02 5.00 -6.228063229e-02 5.02 -5.522626588e-02 5.04 -4.879816581e-02 5.06 -4.297897002e-02 5.08 -3.774289342e-02 5.10 -3.305769890e-02 5.12 -2.888663523e-02 5.14 -2.519023195e-02 5.16 -2.192784416e-02 5.18 -1.905893295e-02 5.20 -1.654406304e-02 5.22 -1.434566019e-02 5.24 -1.242851506e-02 5.26 -1.076000073e-02 5.28 -9.310119184e-03 5.30 -8.052218223e-03 5.32 -6.962327399e-03 5.34 -6.019011228e-03 5.36 -5.203239267e-03 5.38 -4.498216004e-03 5.40 -3.889190355e-03 5.42 -3.363258623e-03 5.44 -2.909170363e-03 5.46 -2.517143183e-03 5.48 -2.178690134e-03 5.50 -1.886461544e-03 5.52 -1.634102000e-03 5.54 -1.416122329e-03 5.56 -1.227785945e-03 5.58 -1.065008599e-03 5.60 -9.242704222e-04 5.62 -8.025390917e-04 5.64 -6.972029375e-04 5.66 -6.060128808e-04 5.68 -5.270321517e-04 5.70 -4.585928300e-04 5.72 -3.992583391e-04 5.74 -3.477911200e-04 5.76 -3.031247962e-04 5.78 -2.643402243e-04 5.80 -2.306449005e-04 5.82 -2.013552594e-04 5.84 -1.758814637e-04 5.86 -1.537143364e-04 5.88 -1.344141344e-04 5.90 -1.176009034e-04 5.92 -1.029461918e-04 5.94 -9.016592926e-05 5.96 -7.901430612e-05 5.98 -6.927851143e-05 6.00 -6.077420733e-05