# 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 = Mo2U # 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 2.458798337e+02 2.00 2.278679647e+02 2.02 2.098206566e+02 2.04 1.917675957e+02 2.06 1.737169600e+02 2.08 1.556810347e+02 2.10 1.376189185e+02 2.12 1.195303271e+02 2.14 1.014118099e+02 2.16 8.327561410e+01 2.18 6.514198886e+01 2.20 4.733806019e+01 2.22 2.780778857e+01 2.24 1.618487436e+01 2.26 8.039859274e+00 2.28 2.751305711e+00 2.30 -3.192555434e-01 2.32 -1.801996014e+00 2.34 -2.306349468e+00 2.36 -2.465395074e+00 2.38 -2.628582307e+00 2.40 -2.829663420e+00 2.42 -3.052879864e+00 2.44 -3.275316748e+00 2.46 -3.481204306e+00 2.48 -3.669986718e+00 2.50 -3.857005761e+00 2.52 -4.037008401e+00 2.54 -4.204492448e+00 2.56 -4.355273875e+00 2.58 -4.486250690e+00 2.60 -4.595681739e+00 2.62 -4.682897846e+00 2.64 -4.748786756e+00 2.66 -4.795563253e+00 2.68 -4.825427186e+00 2.70 -4.839923852e+00 2.72 -4.840278436e+00 2.74 -4.827269868e+00 2.76 -4.800375819e+00 2.78 -4.759281657e+00 2.80 -4.704493160e+00 2.82 -4.636891118e+00 2.84 -4.557841333e+00 2.86 -4.469681148e+00 2.88 -4.375541681e+00 2.90 -4.279067332e+00 2.92 -4.183865547e+00 2.94 -4.092816240e+00 2.96 -4.008251426e+00 2.98 -3.931957290e+00 3.00 -3.864791104e+00 3.02 -3.806998463e+00 3.04 -3.756869959e+00 3.06 -3.710734757e+00 3.08 -3.665096165e+00 3.10 -3.616782431e+00 3.12 -3.564556294e+00 3.14 -3.506776974e+00 3.16 -3.441814328e+00 3.18 -3.369102353e+00 3.20 -3.289055909e+00 3.22 -3.203177923e+00 3.24 -3.113728858e+00 3.26 -3.021977410e+00 3.28 -2.927224441e+00 3.30 -2.829187084e+00 3.32 -2.728322616e+00 3.34 -2.625173494e+00 3.36 -2.520460981e+00 3.38 -2.415095365e+00 3.40 -2.310000006e+00 3.42 -2.206068697e+00 3.44 -2.104244518e+00 3.46 -2.005957598e+00 3.48 -1.912778307e+00 3.50 -1.826312846e+00 3.52 -1.748189144e+00 3.54 -1.679824791e+00 3.56 -1.621193900e+00 3.58 -1.570880133e+00 3.60 -1.527562690e+00 3.62 -1.490129478e+00 3.64 -1.457593386e+00 3.66 -1.428688936e+00 3.68 -1.401811769e+00 3.70 -1.376683219e+00 3.72 -1.353550949e+00 3.74 -1.332680686e+00 3.76 -1.314577088e+00 3.78 -1.300066722e+00 3.80 -1.290207231e+00 3.82 -1.284914198e+00 3.84 -1.283575303e+00 3.86 -1.285673173e+00 3.88 -1.289815386e+00 3.90 -1.294161265e+00 3.92 -1.297329097e+00 3.94 -1.298208841e+00 3.96 -1.295714506e+00 3.98 -1.288767589e+00 4.00 -1.276280456e+00 4.02 -1.257137405e+00 4.04 -1.230172198e+00 4.06 -1.194141466e+00 4.08 -1.148892439e+00 4.10 -1.102209625e+00 4.12 -1.046641329e+00 4.14 -9.834996358e-01 4.16 -9.141633397e-01 4.18 -8.400947991e-01 4.20 -7.628492146e-01 4.22 -6.840694706e-01 4.24 -6.054801832e-01 4.26 -5.288750041e-01 4.28 -4.561286497e-01 4.30 -3.886148284e-01 4.32 -3.267411750e-01 4.34 -2.708029083e-01 4.36 -2.278867471e-01 4.38 -2.281388460e-01 4.40 -2.258281103e-01 4.42 -2.211179452e-01 4.44 -2.141717270e-01 4.46 -2.051809214e-01 4.48 -1.944656713e-01 4.50 -1.823825489e-01 4.52 -1.692829307e-01 4.54 -1.555148058e-01 4.56 -1.414260179e-01 4.58 -1.273644607e-01 4.60 -1.142869851e-01 4.62 -1.262824773e-01 4.64 -1.357196381e-01 4.66 -1.414618064e-01 4.68 -1.425400716e-01 4.70 -1.379773158e-01 4.72 -1.270680038e-01 4.74 -1.103256751e-01 4.76 -8.859160578e-02 4.78 -6.270817417e-02 4.80 -5.097964701e-02 4.82 -5.243977766e-02 4.84 -5.464799929e-02 4.86 -5.744505585e-02 4.88 -6.067322200e-02 4.90 -6.417476470e-02 4.92 -6.779274883e-02 4.94 -7.143843364e-02 4.96 -7.514308392e-02 4.98 -7.895018566e-02 5.00 -8.290309146e-02 5.02 -8.701049922e-02 5.04 -9.120444466e-02 5.06 -9.540666747e-02 5.08 -9.953895742e-02 5.10 -1.035230758e-01 5.12 -1.072807245e-01 5.14 -1.107338045e-01 5.16 -1.138051508e-01 5.18 -1.164184006e-01 5.20 -1.185334780e-01 5.22 -1.202774164e-01 5.24 -1.218256195e-01 5.26 -1.233534987e-01 5.28 -1.250363939e-01 5.30 -1.270497030e-01 5.32 -1.295688127e-01 5.34 -1.327690880e-01 5.36 -1.368105045e-01 5.38 -1.415261424e-01 5.40 -1.461774154e-01 5.42 -1.506184994e-01 5.44 -1.555841896e-01 5.46 -1.598297871e-01 5.48 -1.631848880e-01 5.50 -1.655751366e-01 5.52 -1.669262724e-01 5.54 -1.671641144e-01 5.56 -1.671637637e-01 5.58 -1.662400820e-01 5.60 -1.642843491e-01 5.62 -1.612786127e-01 5.64 -1.572049728e-01 5.66 -1.520455378e-01 5.68 -1.457823975e-01 5.70 -1.383976240e-01 5.72 -1.298732907e-01 5.74 -1.201915159e-01 5.76 -1.093344065e-01 5.78 -9.729573000e-02 5.80 -8.427711788e-02 5.82 -7.065833606e-02 5.84 -5.682496742e-02 5.86 -4.316252651e-02 5.88 -3.005659007e-02 5.90 -1.789270783e-02 5.92 -7.056432979e-03 5.94 2.066681257e-03 5.96 -1.030749780e-02 5.98 -2.026297686e-02 6.00 -2.730469849e-02