# 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 = U2Xe # 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 2.154583195e+01 2.06 2.051075162e+01 2.08 1.948230041e+01 2.10 1.845857747e+01 2.12 1.744108945e+01 2.14 1.644148721e+01 2.16 1.548428423e+01 2.18 1.459177287e+01 2.20 1.378007336e+01 2.22 1.303596368e+01 2.24 1.235982961e+01 2.26 1.174358985e+01 2.28 1.115907673e+01 2.30 1.057648940e+01 2.32 9.971007919e+00 2.34 9.329528788e+00 2.36 8.654483345e+00 2.38 7.920819314e+00 2.40 7.142797136e+00 2.42 6.283600589e+00 2.44 5.606782212e+00 2.46 4.997406993e+00 2.48 4.447564198e+00 2.50 3.950780949e+00 2.52 3.502388809e+00 2.54 3.095250267e+00 2.56 2.719273793e+00 2.58 2.365962662e+00 2.60 2.035402125e+00 2.62 1.732572462e+00 2.64 1.459626288e+00 2.66 1.214690005e+00 2.68 9.932853468e-01 2.70 7.890898824e-01 2.72 5.980390581e-01 2.74 4.173989335e-01 2.76 2.452733345e-01 2.78 8.347694327e-02 2.80 -6.243896095e-02 2.82 -1.885436946e-01 2.84 -2.929982175e-01 2.86 -3.732610530e-01 2.88 -4.263588125e-01 2.90 -4.505383799e-01 2.92 -4.481999250e-01 2.94 -4.224358501e-01 2.96 -3.763489217e-01 2.98 -3.131272562e-01 3.00 -2.368716769e-01 3.02 -1.554916306e-01 3.04 -7.735950249e-02 3.06 -6.449662277e-03 3.08 5.291599760e-02 3.10 9.623676801e-02 3.12 1.278646527e-01 3.14 1.548860990e-01 3.16 1.787005087e-01 3.18 1.997961182e-01 3.20 2.194084303e-01 3.22 2.393442985e-01 3.24 2.615413274e-01 3.26 2.795271536e-01 3.28 2.895153575e-01 3.30 2.913956566e-01 3.32 2.852513301e-01 3.34 2.712978503e-01 3.36 2.503948866e-01 3.38 2.240639712e-01 3.40 1.938665741e-01 3.42 1.614650199e-01 3.44 1.291322645e-01 3.46 9.932066263e-02 3.48 7.430638498e-02 3.50 5.616677714e-02 3.52 4.681835090e-02 3.54 4.691727731e-02 3.56 5.563273186e-02 3.58 7.338530468e-02 3.60 1.008043135e-01 3.62 1.387146097e-01 3.64 1.882608266e-01 3.66 2.510144826e-01 3.68 3.283811538e-01 3.70 4.167981763e-01 3.72 5.099663037e-01 3.74 6.024422200e-01 3.76 6.884113119e-01 3.78 7.613816341e-01 3.80 8.150731355e-01 3.82 8.548428620e-01 3.84 8.840470649e-01 3.86 9.027368481e-01 3.88 9.109420262e-01 3.90 9.087950395e-01 3.92 8.973574920e-01 3.94 8.782625081e-01 3.96 8.531840366e-01 3.98 8.237973261e-01 4.00 7.917699390e-01 4.02 7.587499261e-01 4.04 7.263524585e-01 4.06 6.961539517e-01 4.08 6.698457202e-01 4.10 6.484539628e-01 4.12 6.316103726e-01 4.14 6.170872412e-01 4.16 5.769336312e-01 4.18 5.371164538e-01 4.20 4.984710256e-01 4.22 4.618546316e-01 4.24 4.281442357e-01 4.26 3.982440483e-01 4.28 3.730804115e-01 4.30 3.529975578e-01 4.32 3.374165358e-01 4.34 3.256957836e-01 4.36 3.172109239e-01 4.38 3.113480363e-01 4.40 3.074947336e-01 4.42 3.050198987e-01 4.44 3.052605072e-01 4.46 3.068227427e-01 4.48 3.060952408e-01 4.50 3.023488716e-01 4.52 2.955263267e-01 4.54 2.860233957e-01 4.56 2.744111650e-01 4.58 2.642805308e-01 4.60 2.527725509e-01 4.62 2.399816407e-01 4.64 2.260528702e-01 4.66 2.112383847e-01 4.68 1.958542500e-01 4.70 1.802113831e-01 4.72 1.645688163e-01 4.74 1.490120650e-01 4.76 1.335679466e-01 4.78 1.182423012e-01 4.80 1.070986585e-01 4.82 9.921933277e-02 4.84 9.213121166e-02 4.86 8.563846754e-02 4.88 7.954351900e-02 4.90 7.364881131e-02 4.92 6.775800274e-02 4.94 6.177727098e-02 4.96 5.579343873e-02 4.98 4.991164558e-02 5.00 4.423667015e-02 5.02 3.880090012e-02 5.04 3.347602558e-02 5.06 2.811234393e-02 5.08 2.256007440e-02 5.10 1.666946386e-02 5.12 1.029075297e-02 5.14 3.278193347e-03 5.16 -4.454888285e-03 5.18 -1.295025190e-02 5.20 -2.218813398e-02 5.22 -3.187059637e-02 5.24 -4.161914265e-02 5.26 -5.105532568e-02 5.28 -5.980070327e-02 5.30 -6.747680302e-02 5.32 -7.370519747e-02 5.34 -7.810743199e-02 5.36 -8.034392751e-02 5.38 -8.051623016e-02 5.40 -7.935279701e-02 5.42 -7.702599304e-02 5.44 -7.366685637e-02 5.46 -6.940641640e-02 5.48 -6.437573135e-02 5.50 -5.870584158e-02 5.52 -5.252779872e-02 5.54 -4.597261084e-02 5.56 -3.917134049e-02 5.58 -3.225009248e-02 5.60 -2.532527421e-02 5.62 -1.851215216e-02 5.64 -1.192598359e-02 5.66 -5.682033478e-03 5.68 1.044394217e-04 5.70 5.318174347e-03 5.72 9.843910132e-03 5.74 1.356638664e-02 5.76 1.637034498e-02 5.78 1.814798605e-02 5.80 1.892375372e-02 5.82 1.883548885e-02 5.84 1.802470069e-02 5.86 1.663290477e-02 5.88 1.480161472e-02 5.90 1.267234182e-02 5.92 1.038660122e-02 5.94 8.085906750e-03 5.96 1.032061101e-02 5.98 1.166166589e-02 6.00 1.209452791e-02