# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Smirnova-D-E-Kuksin-A-Y-Starikov-S-V-et-al--U-Mo-Xe # implementation = EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005 # composition = MoU2 # 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 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 nan 1.76 nan 1.78 nan 1.80 nan 1.82 nan 1.84 nan 1.86 nan 1.88 nan 1.90 nan 1.92 nan 1.94 nan 1.96 nan 1.98 nan 2.00 nan 2.02 nan 2.04 nan 2.06 1.753921091e+02 2.08 1.573613658e+02 2.10 1.392706328e+02 2.12 1.210962355e+02 2.14 1.028891380e+02 2.16 8.470833055e+01 2.18 6.654326630e+01 2.20 4.873056206e+01 2.22 2.921148138e+01 2.24 1.761092877e+01 2.26 9.499149222e+00 2.28 4.247684531e+00 2.30 1.226385931e+00 2.32 -2.021452717e-01 2.34 -7.580436490e-01 2.36 -9.910897610e-01 2.38 -1.229001505e+00 2.40 -1.479965809e+00 2.42 -1.731718249e+00 2.44 -1.980750554e+00 2.46 -2.210981390e+00 2.48 -2.424063843e+00 2.50 -2.639793371e+00 2.52 -2.853638482e+00 2.54 -3.059357667e+00 2.56 -3.250703185e+00 2.58 -3.421543118e+00 2.60 -3.567493976e+00 2.62 -3.686246194e+00 2.64 -3.779093279e+00 2.66 -3.850430392e+00 2.68 -3.905748641e+00 2.70 -3.949808393e+00 2.72 -3.985464227e+00 2.74 -4.015448456e+00 2.76 -4.041895069e+00 2.78 -4.065210557e+00 2.80 -4.083253366e+00 2.82 -4.093176440e+00 2.84 -4.092790169e+00 2.86 -4.081120974e+00 2.88 -4.058119718e+00 2.90 -4.024922038e+00 2.92 -3.984823171e+00 2.94 -3.940162739e+00 2.96 -3.891622894e+00 2.98 -3.838344353e+00 3.00 -3.778477034e+00 3.02 -3.711276342e+00 3.04 -3.637026555e+00 3.06 -3.556361686e+00 3.08 -3.473117159e+00 3.10 -3.394189208e+00 3.12 -3.322120072e+00 3.14 -3.256487807e+00 3.16 -3.196217549e+00 3.18 -3.138582385e+00 3.20 -3.080963961e+00 3.22 -3.021961843e+00 3.24 -2.961599668e+00 3.26 -2.904926645e+00 3.28 -2.854113916e+00 3.30 -2.808940536e+00 3.32 -2.769131214e+00 3.34 -2.734273068e+00 3.36 -2.703386994e+00 3.38 -2.674899697e+00 3.40 -2.647138861e+00 3.42 -2.618322134e+00 3.44 -2.586420372e+00 3.46 -2.549806472e+00 3.48 -2.507217733e+00 3.50 -2.457673202e+00 3.52 -2.400429695e+00 3.54 -2.335916681e+00 3.56 -2.265747353e+00 3.58 -2.190216403e+00 3.60 -2.109404239e+00 3.62 -2.023170639e+00 3.64 -1.930990896e+00 3.66 -1.831562456e+00 3.68 -1.723192826e+00 3.70 -1.608412224e+00 3.72 -1.492267714e+00 3.74 -1.379230062e+00 3.76 -1.274371486e+00 3.78 -1.183679634e+00 3.80 -1.113131872e+00 3.82 -1.058427283e+00 3.84 -1.016822879e+00 3.86 -9.881582577e-01 3.88 -9.714246418e-01 3.90 -9.650647752e-01 3.92 -9.666865262e-01 3.94 -9.734427945e-01 3.96 -9.825383849e-01 3.98 -9.912246995e-01 4.00 -9.967645257e-01 4.02 -9.963770181e-01 4.04 -9.871607128e-01 4.06 -9.660028084e-01 4.08 -9.299135259e-01 4.10 -8.785240358e-01 4.12 -8.133683055e-01 4.14 -7.488303508e-01 4.16 -6.968288788e-01 4.18 -6.391462660e-01 4.20 -5.769477512e-01 4.22 -5.116592923e-01 4.24 -4.449353001e-01 4.26 -3.786144766e-01 4.28 -3.146714705e-01 4.30 -2.545901037e-01 4.32 -1.988972695e-01 4.34 -1.479544631e-01 4.36 -1.020505108e-01 4.38 -6.141582549e-02 4.40 -2.623401063e-02 4.42 3.352965069e-03 4.44 1.875695374e-02 4.46 2.302450213e-02 4.48 2.834309658e-02 4.50 3.439911439e-02 4.52 4.088413003e-02 4.54 4.749316939e-02 4.56 5.318673394e-02 4.58 4.365279086e-02 4.60 3.275950214e-02 4.62 2.152315946e-02 4.64 1.095164706e-02 4.66 2.151064620e-03 4.68 -3.715771446e-03 4.70 -5.482376848e-03 4.72 -2.249115581e-03 4.74 5.675749682e-03 4.76 1.765616184e-02 4.78 3.306168526e-02 4.80 3.386924543e-02 4.82 2.403187661e-02 4.84 1.397563660e-02 4.86 3.938982321e-03 4.88 -5.841348737e-03 4.90 -1.512862974e-02 4.92 -2.368691610e-02 4.94 -3.134845380e-02 4.96 -3.806554089e-02 4.98 -4.380266472e-02 5.00 -4.852467209e-02 5.02 -5.226887953e-02 5.04 -5.523316444e-02 5.06 -5.763689720e-02 5.08 -5.969952634e-02 5.10 -6.164041486e-02 5.12 -6.367896351e-02 5.14 -6.603467571e-02 5.16 -6.892803323e-02 5.18 -7.258039910e-02 5.20 -8.198000804e-02 5.22 -9.403458115e-02 5.24 -1.019643920e-01 5.26 -1.067996492e-01 5.28 -1.095707290e-01 5.30 -1.113092871e-01 5.32 -1.145238472e-01 5.34 -1.205631410e-01 5.36 -1.260057724e-01 5.38 -1.308055157e-01 5.40 -1.354567887e-01 5.42 -1.398978728e-01 5.44 -1.448635052e-01 5.46 -1.491090140e-01 5.48 -1.524640813e-01 5.50 -1.548543668e-01 5.52 -1.562055847e-01 5.54 -1.564434871e-01 5.56 -1.564431371e-01 5.58 -1.555194554e-01 5.60 -1.535637224e-01 5.62 -1.505579861e-01 5.64 -1.464843461e-01 5.66 -1.413249112e-01 5.68 -1.350617709e-01 5.70 -1.276769973e-01 5.72 -1.191526640e-01 5.74 -1.094708893e-01 5.76 -9.861377986e-02 5.78 -8.657510334e-02 5.80 -7.355649122e-02 5.82 -5.993770940e-02 5.84 -4.610434076e-02 5.86 -3.244189984e-02 5.88 -1.933596340e-02 5.90 -7.172081162e-03 5.92 3.664193687e-03 5.94 1.278730792e-02 5.96 4.145482750e-04 5.98 -9.517015346e-03 6.00 -1.653720481e-02