# 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 = MoXe2 # 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 2.963169042e+01 2.08 2.641286791e+01 2.10 2.362700460e+01 2.12 2.119136873e+01 2.14 1.914018944e+01 2.16 1.741167959e+01 2.18 1.593101789e+01 2.20 1.463746978e+01 2.22 1.347520465e+01 2.24 1.241526346e+01 2.26 1.143707342e+01 2.28 1.052727697e+01 2.30 9.677280998e+00 2.32 8.883964570e+00 2.34 8.149305707e+00 2.36 7.478094028e+00 2.38 6.875154428e+00 2.40 6.343834570e+00 2.42 5.869078443e+00 2.44 5.433486545e+00 2.46 5.026273410e+00 2.48 4.643569155e+00 2.50 4.287947416e+00 2.52 3.956306100e+00 2.54 3.646835867e+00 2.56 3.358475324e+00 2.58 3.090090631e+00 2.60 2.841140607e+00 2.62 2.611790323e+00 2.64 2.401912094e+00 2.66 2.211057544e+00 2.68 2.039084594e+00 2.70 1.883736218e+00 2.72 1.742128516e+00 2.74 1.613350200e+00 2.76 1.497193946e+00 2.78 1.394093148e+00 2.80 1.304842052e+00 2.82 1.229897228e+00 2.84 1.168726278e+00 2.86 1.120315922e+00 2.88 1.082969025e+00 2.90 1.054048490e+00 2.92 1.030304752e+00 2.94 1.007460446e+00 2.96 9.810118745e-01 2.98 9.465871484e-01 3.00 9.000931146e-01 3.02 8.384313428e-01 3.04 7.622486221e-01 3.06 6.764821809e-01 3.08 5.865604091e-01 3.10 4.979203663e-01 3.12 4.142720878e-01 3.14 3.394119677e-01 3.16 2.737134640e-01 3.18 2.163970939e-01 3.20 1.667491274e-01 3.22 1.239906787e-01 3.24 8.713433171e-02 3.26 5.471856721e-02 3.28 2.690093863e-02 3.30 3.864101093e-03 3.32 -1.471972580e-02 3.34 -2.920658035e-02 3.36 -4.000453729e-02 3.38 -4.751973163e-02 3.40 -5.213960876e-02 3.42 -5.421690695e-02 3.44 -5.409273126e-02 3.46 -5.212430542e-02 3.48 -4.865033069e-02 3.50 -4.398986650e-02 3.52 -3.844982826e-02 3.54 -3.227926183e-02 3.56 -2.589034612e-02 3.58 -1.997664427e-02 3.60 -1.527853987e-02 3.62 -1.254576067e-02 3.64 -1.251804488e-02 3.66 -1.587349416e-02 3.68 -2.296552380e-02 3.70 -3.280625154e-02 3.72 -4.397220962e-02 3.74 -5.506747770e-02 3.76 -6.469631108e-02 3.78 -7.148282904e-02 3.80 -7.447749091e-02 3.82 -7.640230986e-02 3.84 -7.805651734e-02 3.86 -7.943101613e-02 3.88 -8.059823329e-02 3.90 -8.165890281e-02 3.92 -8.268137109e-02 3.94 -8.031667616e-02 3.96 -7.462703626e-02 3.98 -6.938027463e-02 4.00 -6.462744035e-02 4.02 -6.042089692e-02 4.04 -5.682166711e-02 4.06 -5.821303258e-02 4.08 -6.089503266e-02 4.10 -6.272095100e-02 4.12 -6.379444295e-02 4.14 -6.422038722e-02 4.16 -6.410366751e-02 4.18 -6.354909553e-02 4.20 -6.266156390e-02 4.22 -6.154591182e-02 4.24 -6.030697313e-02 4.26 -5.904928930e-02 4.28 -5.786321082e-02 4.30 -5.680457578e-02 4.32 -5.590141372e-02 4.34 -5.517958569e-02 4.36 -5.466481108e-02 4.38 -5.438290745e-02 4.40 -5.435963941e-02 4.42 -5.462082593e-02 4.44 -5.519213740e-02 4.46 -5.606727540e-02 4.48 -5.715974804e-02 4.50 -5.837150413e-02 4.52 -5.961557668e-02 4.54 -6.081246212e-02 4.56 -6.188279819e-02 4.58 -6.274722307e-02 4.60 -6.332635919e-02 4.62 -6.354089549e-02 4.64 -6.332820115e-02 4.66 -6.271408579e-02 4.68 -6.175353801e-02 4.70 -6.050153398e-02 4.72 -5.901366524e-02 4.74 -5.734823485e-02 4.76 -5.556433695e-02 4.78 -5.372101738e-02 4.80 -5.187731824e-02 4.82 -5.009078512e-02 4.84 -4.840061455e-02 4.86 -4.683373147e-02 4.88 -4.541693456e-02 4.90 -4.417691417e-02 4.92 -4.314035574e-02 4.94 -4.232248076e-02 4.96 -4.171857392e-02 4.98 -4.132184727e-02 5.00 -4.112551934e-02 5.02 -4.112435373e-02 5.04 -4.131506672e-02 5.06 -4.169440658e-02 5.08 -4.225915457e-02 5.10 -4.300617473e-02 5.12 -4.393221110e-02 5.14 -4.503583459e-02 5.16 -4.634221063e-02 5.18 -4.789643718e-02 5.20 -4.970325778e-02 5.22 -5.166351748e-02 5.24 -5.366200457e-02 5.26 -5.558347467e-02 5.28 -5.731269306e-02 5.30 -5.873438916e-02 5.32 -5.973334505e-02 5.34 -6.019431848e-02 5.36 -5.999314236e-02 5.38 -5.938500638e-02 5.40 -5.886797561e-02 5.42 -5.841871588e-02 5.44 -5.770557114e-02 5.46 -5.711154589e-02 5.48 -5.663188634e-02 5.50 -5.622706453e-02 5.52 -5.585754307e-02 5.54 -5.548368111e-02 5.56 -5.472349105e-02 5.58 -5.378697762e-02 5.60 -5.273360729e-02 5.62 -5.159676432e-02 5.64 -5.040993333e-02 5.66 -4.920655092e-02 5.68 -4.802001294e-02 5.70 -4.688379047e-02 5.72 -4.583129579e-02 5.74 -4.489599026e-02 5.76 -4.411131661e-02 5.78 -4.350783081e-02 5.80 -4.306571735e-02 5.82 -4.272181761e-02 5.84 -4.241167430e-02 5.86 -4.207072192e-02 5.88 -4.163448509e-02 5.90 -4.103844637e-02 5.92 -4.021807713e-02 5.94 -3.910885529e-02 5.96 -3.764630843e-02 5.98 -3.576587013e-02 6.00 -3.342493012e-02