# 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 = Ag2Mo # 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 3.501293662e+02 1.16 3.231325091e+02 1.18 2.983242351e+02 1.20 2.755019092e+02 1.22 2.544835481e+02 1.24 2.351068702e+02 1.26 2.172283383e+02 1.28 2.007215269e+02 1.30 1.854744286e+02 1.32 1.713864305e+02 1.34 1.583658248e+02 1.36 1.463280886e+02 1.38 1.351947729e+02 1.40 1.248929380e+02 1.42 1.153550434e+02 1.44 1.065189446e+02 1.46 9.832776601e+01 1.48 9.072973444e+01 1.50 8.367804735e+01 1.52 7.713064278e+01 1.54 7.105021703e+01 1.56 6.540614389e+01 1.58 6.016815984e+01 1.60 5.531108269e+01 1.62 5.080971922e+01 1.64 4.663934008e+01 1.66 4.277667321e+01 1.68 3.919975185e+01 1.70 3.588791652e+01 1.72 3.282186292e+01 1.74 2.998362836e+01 1.76 2.735649444e+01 1.78 2.492487579e+01 1.80 2.267427532e+01 1.82 2.059131742e+01 1.84 1.866379774e+01 1.86 1.688067493e+01 1.88 1.523196922e+01 1.90 1.370858196e+01 1.92 1.230208427e+01 1.94 1.100453285e+01 1.96 9.808355661e+00 1.98 8.706314216e+00 2.00 7.691513386e+00 2.02 6.757417144e+00 2.04 5.897842343e+00 2.06 5.106927618e+00 2.08 4.379095111e+00 2.10 3.709030405e+00 2.12 3.091698384e+00 2.14 2.522394775e+00 2.16 1.996815736e+00 2.18 1.511119995e+00 2.20 1.061962334e+00 2.22 6.467057282e-01 2.24 2.628262990e-01 2.26 -9.202888706e-02 2.28 -4.198075700e-01 2.30 -7.221678519e-01 2.32 -1.000572112e+00 2.34 -1.256355555e+00 2.36 -1.490637994e+00 2.38 -1.704296270e+00 2.40 -1.898255018e+00 2.42 -2.073495214e+00 2.44 -2.231033038e+00 2.46 -2.371902988e+00 2.48 -2.497144309e+00 2.50 -2.607790006e+00 2.52 -2.704858152e+00 2.54 -2.789345697e+00 2.56 -2.862225043e+00 2.58 -2.924442542e+00 2.60 -2.976916417e+00 2.62 -3.020530846e+00 2.64 -3.056124423e+00 2.66 -3.084474535e+00 2.68 -3.106282272e+00 2.70 -3.122163075e+00 2.72 -3.132752177e+00 2.74 -3.138649335e+00 2.76 -3.140003255e+00 2.78 -3.136941355e+00 2.80 -3.129594604e+00 2.82 -3.118098843e+00 2.84 -3.102594146e+00 2.86 -3.083222721e+00 2.88 -3.060126704e+00 2.90 -3.033457287e+00 2.92 -3.003373545e+00 2.94 -2.970027370e+00 2.96 -2.933565027e+00 2.98 -2.894130746e+00 3.00 -2.851870732e+00 3.02 -2.806936535e+00 3.04 -2.759486521e+00 3.06 -2.709684500e+00 3.08 -2.657695163e+00 3.10 -2.603677095e+00 3.12 -2.547774939e+00 3.14 -2.490112816e+00 3.16 -2.430790817e+00 3.18 -2.369885594e+00 3.20 -2.307455032e+00 3.22 -2.243546209e+00 3.24 -2.178205463e+00 3.26 -2.111489372e+00 3.28 -2.043475649e+00 3.30 -1.974273122e+00 3.32 -1.904030108e+00 3.34 -1.832940489e+00 3.36 -1.761246823e+00 3.38 -1.689239881e+00 3.40 -1.617254201e+00 3.42 -1.545659558e+00 3.44 -1.474848733e+00 3.46 -1.405222414e+00 3.48 -1.337172529e+00 3.50 -1.271065560e+00 3.52 -1.207227425e+00 3.54 -1.145931324e+00 3.56 -1.087389514e+00 3.58 -1.031749427e+00 3.60 -9.790940372e-01 3.62 -9.294458848e-01 3.64 -8.827738869e-01 3.66 -8.390019308e-01 3.68 -7.980182687e-01 3.70 -7.596848813e-01 3.72 -7.238461754e-01 3.74 -6.903366058e-01 3.76 -6.589870075e-01 3.78 -6.296295914e-01 3.80 -6.021016690e-01 3.82 -5.762482480e-01 3.84 -5.519236769e-01 3.86 -5.289925252e-01 3.88 -5.073298789e-01 3.90 -4.868212103e-01 3.92 -4.673619573e-01 3.94 -4.488569273e-01 3.96 -4.312195993e-01 3.98 -4.143714104e-01 4.00 -3.982410627e-01 4.02 -3.827638933e-01 4.04 -3.678813349e-01 4.06 -3.535404856e-01 4.08 -3.396938007e-01 4.10 -3.262989101e-01 4.12 -3.133185693e-01 4.14 -3.007207040e-01 4.16 -2.884785615e-01 4.18 -2.765708991e-01 4.20 -2.649821677e-01 4.22 -2.537026194e-01 4.24 -2.427282616e-01 4.26 -2.320605793e-01 4.28 -2.217059653e-01 4.30 -2.116748233e-01 4.32 -2.019803555e-01 4.34 -1.926370984e-01 4.36 -1.836593195e-01 4.38 -1.750594208e-01 4.40 -1.668465132e-01 4.42 -1.590253063e-01 4.44 -1.515954073e-01 4.46 -1.445510143e-01 4.48 -1.378805580e-01 4.50 -1.315687951e-01 4.52 -1.255967345e-01 4.54 -1.199422600e-01 4.56 -1.145811511e-01 4.58 -1.094880368e-01 4.60 -1.046372274e-01 4.62 -1.000033987e-01 4.64 -9.556212720e-02 4.66 -9.129029116e-02 4.68 -8.716636090e-02 4.70 -8.317060658e-02 4.72 -7.928525024e-02 4.74 -7.549458522e-02 4.76 -7.178508101e-02 4.78 -6.814548443e-02 4.80 -6.456691967e-02 4.82 -6.104299351e-02 4.84 -5.756987158e-02 4.86 -5.414634272e-02 4.88 -5.077382580e-02 4.90 -4.745630724e-02 4.92 -4.420018640e-02 4.94 -4.101401292e-02 4.96 -3.790810866e-02 4.98 -3.489407929e-02 5.00 -3.198423271e-02 5.02 -2.919094302e-02 5.04 -2.652599452e-02 5.06 -2.399995691e-02 5.08 -2.162164463e-02 5.10 -1.939769352e-02 5.12 -1.733228874e-02 5.14 -1.542706200e-02 5.16 -1.368113650e-02 5.18 -1.209130645e-02 5.20 -1.065220667e-02 5.22 -9.356719798e-03 5.24 -8.196793192e-03 5.26 -7.163394290e-03 5.28 -6.246882779e-03 5.30 -5.437358571e-03 5.32 -4.724953000e-03 5.34 -4.100060106e-03 5.36 -3.553509962e-03 5.38 -3.076689422e-03 5.40 -2.661617581e-03 5.42 -2.300984012e-03 5.44 -1.988157708e-03 5.46 -1.717174021e-03 5.48 -1.482705939e-03 5.50 -1.280024968e-03 5.52 -1.104955831e-03 5.54 -9.538282484e-04 5.56 -8.234281960e-04 5.58 -7.109503615e-04 5.60 -6.139529556e-04 5.62 -5.303155885e-04 5.64 -4.582006010e-04 5.66 -3.960179954e-04 5.68 -3.423939430e-04 5.70 -2.961427293e-04 5.72 -2.562419273e-04 5.74 -2.218105486e-04 5.76 -1.920899015e-04 5.78 -1.664268870e-04 5.80 -1.442594672e-04 5.82 -1.251040571e-04 5.84 -1.085446113e-04 5.86 -9.422319343e-05 5.88 -8.183183930e-05 5.90 -7.110554668e-05 5.92 -6.181624005e-05 5.94 -5.376757977e-05 5.96 -4.679050022e-05 5.98 -4.073937631e-05 6.00 -3.548873111e-05