# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = TiZr2 # 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 2024-04-11 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 4.240162945e+02 1.16 3.927984283e+02 1.18 3.640133955e+02 1.20 3.374499703e+02 1.22 3.129158736e+02 1.24 2.902382698e+02 1.26 2.692629265e+02 1.28 2.498510759e+02 1.30 2.318760528e+02 1.32 2.152213759e+02 1.34 1.997800635e+02 1.36 1.854548263e+02 1.38 1.721582847e+02 1.40 1.598120155e+02 1.42 1.483444831e+02 1.44 1.376892839e+02 1.46 1.277845827e+02 1.48 1.185732979e+02 1.50 1.100031423e+02 1.52 1.020262867e+02 1.54 9.459877085e+01 1.56 8.768016312e+01 1.58 8.123350586e+01 1.60 7.522520817e+01 1.62 6.962461921e+01 1.64 6.440351988e+01 1.66 5.953566075e+01 1.68 5.499647552e+01 1.70 5.076305050e+01 1.72 4.681410980e+01 1.74 4.313001463e+01 1.76 3.969267695e+01 1.78 3.648542747e+01 1.80 3.349280298e+01 1.82 3.070034683e+01 1.84 2.809438689e+01 1.86 2.566225003e+01 1.88 2.339314135e+01 1.90 2.127612308e+01 1.92 1.930106347e+01 1.94 1.745869630e+01 1.96 1.574029643e+01 1.98 1.413776792e+01 2.00 1.264362936e+01 2.02 1.125095954e+01 2.04 9.953312566e+00 2.06 8.744629603e+00 2.08 7.619171365e+00 2.10 6.571509582e+00 2.12 5.596538221e+00 2.14 4.689494406e+00 2.16 3.845979227e+00 2.18 3.061935502e+00 2.20 2.333618706e+00 2.22 1.657522640e+00 2.24 1.030333152e+00 2.26 4.489145626e-01 2.28 -8.969671090e-02 2.30 -5.882385504e-01 2.32 -1.049250558e+00 2.34 -1.475056099e+00 2.36 -1.867806797e+00 2.38 -2.229514567e+00 2.40 -2.562090715e+00 2.42 -2.867391311e+00 2.44 -3.147231279e+00 2.46 -3.403398660e+00 2.48 -3.637634805e+00 2.50 -3.851600943e+00 2.52 -4.046841816e+00 2.54 -4.224758706e+00 2.56 -4.386598287e+00 2.58 -4.533457743e+00 2.60 -4.666302864e+00 2.62 -4.785991574e+00 2.64 -4.893311365e+00 2.66 -4.989051856e+00 2.68 -5.074005330e+00 2.70 -5.148690366e+00 2.72 -5.213633870e+00 2.74 -5.269379111e+00 2.76 -5.316474338e+00 2.78 -5.355455795e+00 2.80 -5.386851080e+00 2.82 -5.411140665e+00 2.84 -5.428600753e+00 2.86 -5.439273716e+00 2.88 -5.443236293e+00 2.90 -5.440613449e+00 2.92 -5.431573089e+00 2.94 -5.416349433e+00 2.96 -5.395214047e+00 2.98 -5.368405959e+00 3.00 -5.336205392e+00 3.02 -5.298929960e+00 3.04 -5.256920600e+00 3.06 -5.210556121e+00 3.08 -5.160202053e+00 3.10 -5.106229160e+00 3.12 -5.048996822e+00 3.14 -4.988837419e+00 3.16 -4.925997980e+00 3.18 -4.860716484e+00 3.20 -4.793231448e+00 3.22 -4.723778478e+00 3.24 -4.652587364e+00 3.26 -4.579880644e+00 3.28 -4.505873705e+00 3.30 -4.430775390e+00 3.32 -4.354787675e+00 3.34 -4.278103514e+00 3.36 -4.200903053e+00 3.38 -4.123349462e+00 3.40 -4.045583572e+00 3.42 -3.967733139e+00 3.44 -3.889898842e+00 3.46 -3.812169294e+00 3.48 -3.734622679e+00 3.50 -3.657331186e+00 3.52 -3.580364342e+00 3.54 -3.503790717e+00 3.56 -3.427677879e+00 3.58 -3.352090853e+00 3.60 -3.277089678e+00 3.62 -3.202726853e+00 3.64 -3.129045447e+00 3.66 -3.056078464e+00 3.68 -2.983849731e+00 3.70 -2.912376274e+00 3.72 -2.841671903e+00 3.74 -2.771751589e+00 3.76 -2.702636184e+00 3.78 -2.634356935e+00 3.80 -2.566959194e+00 3.82 -2.500504637e+00 3.84 -2.435071357e+00 3.86 -2.370751342e+00 3.88 -2.307645281e+00 3.90 -2.245855208e+00 3.92 -2.185471426e+00 3.94 -2.126583691e+00 3.96 -2.069244293e+00 3.98 -2.013485973e+00 4.00 -1.959315645e+00 4.02 -1.906716640e+00 4.04 -1.855652905e+00 4.06 -1.806074171e+00 4.08 -1.757921191e+00 4.10 -1.711124974e+00 4.12 -1.665633235e+00 4.14 -1.621377241e+00 4.16 -1.578298747e+00 4.18 -1.536344207e+00 4.20 -1.495465089e+00 4.22 -1.455617765e+00 4.24 -1.416763153e+00 4.26 -1.378866234e+00 4.28 -1.341895527e+00 4.30 -1.305822591e+00 4.32 -1.270621589e+00 4.34 -1.236268917e+00 4.36 -1.202742904e+00 4.38 -1.170023576e+00 4.40 -1.138092452e+00 4.42 -1.106932378e+00 4.44 -1.076527354e+00 4.46 -1.046862384e+00 4.48 -1.017923306e+00 4.50 -9.896966295e-01 4.52 -9.621693688e-01 4.54 -9.353288867e-01 4.56 -9.091627510e-01 4.58 -8.836586101e-01 4.60 -8.588040926e-01 4.62 -8.345867326e-01 4.64 -8.109939199e-01 4.66 -7.880128754e-01 4.68 -7.656306460e-01 4.70 -7.438341172e-01 4.72 -7.226100371e-01 4.74 -7.019450469e-01 4.76 -6.818257150e-01 4.78 -6.622385685e-01 4.80 -6.431619539e-01 4.82 -6.246001015e-01 4.84 -6.065297569e-01 4.86 -5.889375105e-01 4.88 -5.718099538e-01 4.90 -5.551336658e-01 4.92 -5.388951923e-01 4.94 -5.230810224e-01 4.96 -5.076775623e-01 4.98 -4.926711093e-01 5.00 -4.780478296e-01 5.02 -4.637937397e-01 5.04 -4.498946958e-01 5.06 -4.363363940e-01 5.08 -4.231043819e-01 5.10 -4.101840874e-01 5.12 -3.975608676e-01 5.14 -3.852200802e-01 5.16 -3.731471851e-01 5.18 -3.613278768e-01 5.20 -3.497482540e-01 5.22 -3.383950271e-01 5.24 -3.272557658e-01 5.26 -3.163191814e-01 5.28 -3.055754388e-01 5.30 -2.950164831e-01 5.32 -2.846363632e-01 5.34 -2.744315238e-01 5.36 -2.644010357e-01 5.38 -2.545467277e-01 5.40 -2.448731856e-01 5.42 -2.353875891e-01 5.44 -2.260993709e-01 5.46 -2.170196974e-01 5.48 -2.081607972e-01 5.50 -1.995351816e-01 5.52 -1.911548234e-01 5.54 -1.830303713e-01 5.56 -1.751704753e-01 5.58 -1.675812896e-01 5.60 -1.602661947e-01 5.62 -1.532257549e-01 5.64 -1.464578947e-01 5.66 -1.399582561e-01 5.68 -1.337206763e-01 5.70 -1.277377211e-01 5.72 -1.220012076e-01 5.74 -1.165026628e-01 5.76 -1.112336753e-01 5.78 -1.061861181e-01 5.80 -1.013522398e-01 5.82 -9.672461072e-02 5.84 -9.229569235e-02 5.86 -8.805842966e-02 5.88 -8.400572833e-02 5.90 -8.013009065e-02 5.92 -7.642348571e-02 5.94 -7.287728085e-02 5.96 -6.948224388e-02 5.98 -6.622861583e-02 6.00 -6.310624642e-02