# 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 = Mo2Xe # 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 2.412433638e+01 1.98 2.186659921e+01 2.00 1.977984870e+01 2.02 1.792384471e+01 2.04 1.625978044e+01 2.06 1.470742064e+01 2.08 1.323869412e+01 2.10 1.187930835e+01 2.12 1.062530178e+01 2.14 9.473865268e+00 2.16 8.407720017e+00 2.18 7.419728252e+00 2.20 6.503678802e+00 2.22 5.665477759e+00 2.24 4.906271048e+00 2.26 4.222404393e+00 2.28 3.597798365e+00 2.30 3.031903900e+00 2.32 2.524418217e+00 2.34 2.073146818e+00 2.36 1.668413199e+00 2.38 1.301425047e+00 2.40 9.652587078e-01 2.42 6.577784306e-01 2.44 3.788140258e-01 2.46 1.216256951e-01 2.48 -1.147114116e-01 2.50 -3.258003544e-01 2.52 -5.136484423e-01 2.54 -6.799178990e-01 2.56 -8.266378924e-01 2.58 -9.560107221e-01 2.60 -1.069736959e+00 2.62 -1.168812498e+00 2.64 -1.253744918e+00 2.66 -1.325307612e+00 2.68 -1.383758597e+00 2.70 -1.429655297e+00 2.72 -1.463490724e+00 2.74 -1.484276838e+00 2.76 -1.490448386e+00 2.78 -1.480539594e+00 2.80 -1.453668149e+00 2.82 -1.410437468e+00 2.84 -1.352777538e+00 2.86 -1.283269871e+00 2.88 -1.205195728e+00 2.90 -1.122321472e+00 2.92 -1.038146855e+00 2.94 -9.574042333e-01 2.96 -8.851638154e-01 2.98 -8.262486226e-01 3.00 -7.845956409e-01 3.02 -7.628232293e-01 3.04 -7.596850579e-01 3.06 -7.697732941e-01 3.08 -7.870409718e-01 3.10 -8.052476848e-01 3.12 -8.215218851e-01 3.14 -8.336459426e-01 3.16 -8.410277178e-01 3.18 -8.436712325e-01 3.20 -8.413436318e-01 3.22 -8.338076214e-01 3.24 -8.210253591e-01 3.26 -8.038570299e-01 3.28 -7.814586341e-01 3.30 -7.531596155e-01 3.32 -7.193134367e-01 3.34 -6.803345517e-01 3.36 -6.368253061e-01 3.38 -5.896110183e-01 3.40 -5.395481209e-01 3.42 -4.875479512e-01 3.44 -4.347636104e-01 3.46 -3.824730859e-01 3.48 -3.319799162e-01 3.50 -2.846024908e-01 3.52 -2.416689480e-01 3.54 -2.043089491e-01 3.56 -1.730610982e-01 3.58 -1.481919626e-01 3.60 -1.299525420e-01 3.62 -1.185934685e-01 3.64 -1.143579512e-01 3.66 -1.174311626e-01 3.68 -1.276796616e-01 3.70 -1.434001289e-01 3.72 -1.622576722e-01 3.74 -1.818303896e-01 3.76 -1.996836014e-01 3.78 -2.133969534e-01 3.80 -2.209746264e-01 3.82 -2.260414074e-01 3.84 -2.297467830e-01 3.86 -2.316217983e-01 3.88 -2.312916795e-01 3.90 -2.284811767e-01 3.92 -2.233696939e-01 3.94 -2.163987425e-01 3.96 -2.080215461e-01 3.98 -2.017606064e-01 4.00 -2.079607266e-01 4.02 -2.137482448e-01 4.04 -2.190659249e-01 4.06 -2.238626085e-01 4.08 -2.278318539e-01 4.10 -2.285070635e-01 4.12 -2.290744493e-01 4.14 -2.295609757e-01 4.16 -2.299936642e-01 4.18 -2.303994163e-01 4.20 -2.308052499e-01 4.22 -2.312381406e-01 4.24 -2.317250012e-01 4.26 -2.322927469e-01 4.28 -2.329446581e-01 4.30 -2.336157075e-01 4.32 -2.342074981e-01 4.34 -2.346193715e-01 4.36 -2.347506337e-01 4.38 -2.345005515e-01 4.40 -2.337684553e-01 4.42 -2.324536725e-01 4.44 -2.304555046e-01 4.46 -2.277013177e-01 4.48 -2.242472269e-01 4.50 -2.201870084e-01 4.52 -2.156254990e-01 4.54 -2.106750911e-01 4.56 -2.054481814e-01 4.58 -2.000572638e-01 4.60 -1.946147979e-01 4.62 -1.892332663e-01 4.64 -1.840176570e-01 4.66 -1.789964946e-01 4.68 -1.741538689e-01 4.70 -1.694732487e-01 4.72 -1.649387470e-01 4.74 -1.605371671e-01 4.76 -1.562561186e-01 4.78 -1.520831456e-01 4.80 -1.480058153e-01 4.82 -1.440125391e-01 4.84 -1.401165744e-01 4.86 -1.363590196e-01 4.88 -1.327825617e-01 4.90 -1.294297804e-01 4.92 -1.263432680e-01 4.94 -1.235541568e-01 4.96 -1.210735735e-01 4.98 -1.189106405e-01 5.00 -1.170742924e-01 5.02 -1.155388448e-01 5.04 -1.142019937e-01 5.06 -1.129510865e-01 5.08 -1.116734876e-01 5.10 -1.102566489e-01 5.12 -1.085878669e-01 5.14 -1.065563413e-01 5.16 -1.040777931e-01 5.18 -1.010880015e-01 5.20 -9.755961710e-02 5.22 -9.363231874e-02 5.24 -8.949420585e-02 5.26 -8.533333875e-02 5.28 -8.133778301e-02 5.30 -7.769558038e-02 5.32 -7.459481575e-02 5.34 -7.222354902e-02 5.36 -7.076239303e-02 5.38 -7.010563304e-02 5.40 -6.958860227e-02 5.42 -6.913934254e-02 5.44 -6.842611011e-02 5.46 -6.783195024e-02 5.48 -6.735223961e-02 5.50 -6.694747380e-02 5.52 -6.657807706e-02 5.54 -6.620430682e-02 5.56 -6.544411772e-02 5.58 -6.450760429e-02 5.60 -6.345423396e-02 5.62 -6.231739099e-02 5.64 -6.113056000e-02 5.66 -5.992717758e-02 5.68 -5.874063960e-02 5.70 -5.760441713e-02 5.72 -5.655192246e-02 5.74 -5.561661693e-02 5.76 -5.483194328e-02 5.78 -5.422845748e-02 5.80 -5.378634401e-02 5.82 -5.344244428e-02 5.84 -5.313230097e-02 5.86 -5.279134859e-02 5.88 -5.235511176e-02 5.90 -5.175907304e-02 5.92 -5.093870380e-02 5.94 -4.982948196e-02 5.96 -4.836693510e-02 5.98 -4.648649680e-02 6.00 -4.414555678e-02