# 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 = AlMo2 # 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 2.446593225e+02 1.16 2.253252700e+02 1.18 2.076049131e+02 1.20 1.913584403e+02 1.22 1.764531529e+02 1.24 1.627627826e+02 1.26 1.501709473e+02 1.28 1.385739069e+02 1.30 1.278797523e+02 1.32 1.180057067e+02 1.34 1.088764078e+02 1.36 1.004241249e+02 1.38 9.258960369e+01 1.40 8.532187086e+01 1.42 7.857663821e+01 1.44 7.231412865e+01 1.46 6.649741462e+01 1.48 6.109195652e+01 1.50 5.606619103e+01 1.52 5.139226116e+01 1.54 4.704605950e+01 1.56 4.300653039e+01 1.58 3.925467429e+01 1.60 3.577425222e+01 1.62 3.255379540e+01 1.64 2.957589963e+01 1.66 2.682239664e+01 1.68 2.427515066e+01 1.70 2.191707609e+01 1.72 1.973428133e+01 1.74 1.771236447e+01 1.76 1.583844865e+01 1.78 1.410150772e+01 1.80 1.249221681e+01 1.82 1.100271733e+01 1.84 9.626318954e+00 1.86 8.357168358e+00 1.88 7.189923271e+00 1.90 6.119463570e+00 1.92 5.140657536e+00 1.94 4.248194668e+00 1.96 3.436496831e+00 1.98 2.699719729e+00 2.00 2.031842800e+00 2.02 1.426814642e+00 2.04 8.786938070e-01 2.06 3.817346592e-01 2.08 -6.958341252e-02 2.10 -4.805395238e-01 2.12 -8.561192237e-01 2.14 -1.200912147e+00 2.16 -1.518984206e+00 2.18 -1.813768849e+00 2.20 -2.088015561e+00 2.22 -2.343811302e+00 2.24 -2.582665630e+00 2.26 -2.805633813e+00 2.28 -3.013448289e+00 2.30 -3.206500937e+00 2.32 -3.384959391e+00 2.34 -3.549541412e+00 2.36 -3.700883932e+00 2.38 -3.839542877e+00 2.40 -3.966024302e+00 2.42 -4.080801986e+00 2.44 -4.184327130e+00 2.46 -4.277015423e+00 2.48 -4.358941044e+00 2.50 -4.429957674e+00 2.52 -4.490009479e+00 2.54 -4.539140620e+00 2.56 -4.577502257e+00 2.58 -4.605358657e+00 2.60 -4.623081648e+00 2.62 -4.631125696e+00 2.64 -4.629983941e+00 2.66 -4.620134996e+00 2.68 -4.601996216e+00 2.70 -4.575896754e+00 2.72 -4.542075660e+00 2.74 -4.500701171e+00 2.76 -4.452279847e+00 2.78 -4.397452491e+00 2.80 -4.336086730e+00 2.82 -4.268135883e+00 2.84 -4.193673429e+00 2.86 -4.112906302e+00 2.88 -4.026184887e+00 2.90 -3.934008420e+00 2.92 -3.837023805e+00 2.94 -3.736024151e+00 2.96 -3.631933138e+00 2.98 -3.525755066e+00 3.00 -3.418530413e+00 3.02 -3.311286339e+00 3.04 -3.204985277e+00 3.06 -3.100476851e+00 3.08 -2.998458142e+00 3.10 -2.899446317e+00 3.12 -2.803766157e+00 3.14 -2.711553217e+00 3.16 -2.622771022e+00 3.18 -2.537239463e+00 3.20 -2.454669969e+00 3.22 -2.374703236e+00 3.24 -2.296945853e+00 3.26 -2.221003341e+00 3.28 -2.146508233e+00 3.30 -2.073142762e+00 3.32 -2.000656146e+00 3.34 -1.928876668e+00 3.36 -1.857718612e+00 3.38 -1.787184046e+00 3.40 -1.717359335e+00 3.42 -1.648406468e+00 3.44 -1.580549514e+00 3.46 -1.514057094e+00 3.48 -1.449222160e+00 3.50 -1.386340822e+00 3.52 -1.325692128e+00 3.54 -1.267520572e+00 3.56 -1.212022727e+00 3.58 -1.159338806e+00 3.60 -1.109549285e+00 3.62 -1.062676146e+00 3.64 -1.018687844e+00 3.66 -9.775068802e-01 3.68 -9.390188311e-01 3.70 -9.030818023e-01 3.72 -8.695354974e-01 3.74 -8.382093406e-01 3.76 -8.089293315e-01 3.78 -7.815235151e-01 3.80 -7.558260946e-01 3.82 -7.316803139e-01 3.84 -7.089402873e-01 3.86 -6.874719749e-01 3.88 -6.671534938e-01 3.90 -6.478749406e-01 3.92 -6.295378700e-01 3.94 -6.120545651e-01 3.96 -5.953471679e-01 3.98 -5.793467525e-01 4.00 -5.639923916e-01 4.02 -5.492302888e-01 4.04 -5.350129395e-01 4.06 -5.212981874e-01 4.08 -5.080486552e-01 4.10 -4.952316396e-01 4.12 -4.828179554e-01 4.14 -4.707813842e-01 4.16 -4.590983570e-01 4.18 -4.477475725e-01 4.20 -4.367096677e-01 4.22 -4.259669205e-01 4.24 -4.155029821e-01 4.26 -4.053026367e-01 4.28 -3.953515856e-01 4.30 -3.856362511e-01 4.32 -3.761436002e-01 4.34 -3.668609815e-01 4.36 -3.577759773e-01 4.38 -3.488762659e-01 4.40 -3.401494945e-01 4.42 -3.315831616e-01 4.44 -3.231645083e-01 4.46 -3.148804196e-01 4.48 -3.067173373e-01 4.50 -2.986611852e-01 4.52 -2.906973119e-01 4.54 -2.828104543e-01 4.56 -2.749847282e-01 4.58 -2.672036528e-01 4.60 -2.594502179e-01 4.62 -2.517070045e-01 4.64 -2.439563682e-01 4.66 -2.361806993e-01 4.68 -2.283627691e-01 4.70 -2.204861730e-01 4.72 -2.125358770e-01 4.74 -2.044988677e-01 4.76 -1.963648981e-01 4.78 -1.881273105e-01 4.80 -1.797838940e-01 4.82 -1.713377747e-01 4.84 -1.627981540e-01 4.86 -1.541809754e-01 4.88 -1.455093085e-01 4.90 -1.368134124e-01 4.92 -1.281303953e-01 4.94 -1.195034236e-01 4.96 -1.109804730e-01 4.98 -1.026126654e-01 5.00 -9.445228707e-02 5.02 -8.655062868e-02 5.04 -7.895582028e-02 5.06 -7.171083852e-02 5.08 -6.485184710e-02 5.10 -5.840699858e-02 5.12 -5.239576663e-02 5.14 -4.682879487e-02 5.16 -4.170824704e-02 5.18 -3.702854220e-02 5.20 -3.277740236e-02 5.22 -2.893707622e-02 5.24 -2.548560930e-02 5.26 -2.239804085e-02 5.28 -1.964708369e-02 5.30 -1.720539887e-02 5.32 -1.504573953e-02 5.34 -1.314134864e-02 5.36 -1.146651027e-02 5.38 -9.996934942e-03 5.40 -8.710005145e-03 5.42 -7.584907658e-03 5.44 -6.602677978e-03 5.46 -5.746179094e-03 5.48 -5.000033627e-03 5.50 -4.350524794e-03 5.52 -3.785478440e-03 5.54 -3.294135462e-03 5.56 -2.867021544e-03 5.58 -2.495819093e-03 5.60 -2.173244712e-03 5.62 -1.892934307e-03 5.64 -1.649337017e-03 5.66 -1.437618474e-03 5.68 -1.253573440e-03 5.70 -1.093547534e-03 5.72 -9.543675631e-04 5.74 -8.332798333e-04 5.76 -7.278957855e-04 5.78 -6.361442483e-04 5.80 -5.562296399e-04 5.82 -4.865954665e-04 5.84 -4.258925172e-04 5.86 -3.729511953e-04 5.88 -3.267574858e-04 5.90 -2.864321039e-04 5.92 -2.512124208e-04 5.94 -2.204368080e-04 5.96 -1.935310849e-04 5.98 -1.699967918e-04 6.00 -1.494010449e-04