# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2000--Landa-A-Wynblatt-P-Siegel-D-J-et-al--Al-Pb # implementation = 2000--Landa-A--Al-Pb--LAMMPS--ipr1 # composition = Al2Pb # 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 1.118893196e+03 0.92 1.040366193e+03 0.94 9.713282451e+02 0.96 9.088920778e+02 0.98 8.516447629e+02 1.00 7.987137211e+02 1.02 7.501238107e+02 1.04 7.055383230e+02 1.06 6.644140968e+02 1.08 6.269901100e+02 1.10 5.919617696e+02 1.12 5.590347838e+02 1.14 5.272970731e+02 1.16 4.956214334e+02 1.18 4.647888206e+02 1.20 4.358448678e+02 1.22 4.092675786e+02 1.24 3.851228906e+02 1.26 3.634465437e+02 1.28 3.444083745e+02 1.30 3.263058723e+02 1.32 3.086745864e+02 1.34 2.916961649e+02 1.36 2.756177131e+02 1.38 2.608215816e+02 1.40 2.470342873e+02 1.42 2.341250444e+02 1.44 2.220876341e+02 1.46 2.108260474e+02 1.48 2.002056502e+02 1.50 1.901680303e+02 1.52 1.804663082e+02 1.54 1.706578018e+02 1.56 1.608210702e+02 1.58 1.511664713e+02 1.60 1.419199348e+02 1.62 1.332941813e+02 1.64 1.254637019e+02 1.66 1.184931366e+02 1.68 1.121486652e+02 1.70 1.062011119e+02 1.72 1.003415406e+02 1.74 9.446605766e+01 1.76 8.863782465e+01 1.78 8.294475155e+01 1.80 7.745127975e+01 1.82 7.221850039e+01 1.84 6.729372402e+01 1.86 6.272721660e+01 1.88 5.858729471e+01 1.90 5.489017271e+01 1.92 5.158884946e+01 1.94 4.871206430e+01 1.96 4.617595435e+01 1.98 4.366894492e+01 2.00 4.114376061e+01 2.02 3.857013035e+01 2.04 3.594949374e+01 2.06 3.331268644e+01 2.08 3.067811063e+01 2.10 2.808641526e+01 2.12 2.558863386e+01 2.14 2.324056123e+01 2.16 2.110889373e+01 2.18 1.920534839e+01 2.20 1.751783443e+01 2.22 1.603315977e+01 2.24 1.474192022e+01 2.26 1.361176464e+01 2.28 1.257637598e+01 2.30 1.161619330e+01 2.32 1.072690849e+01 2.34 9.907610869e+00 2.36 9.157746618e+00 2.38 8.476966958e+00 2.40 7.838311882e+00 2.42 7.193451787e+00 2.44 6.538667488e+00 2.46 5.875850606e+00 2.48 5.207978922e+00 2.50 4.539213237e+00 2.52 3.885887459e+00 2.54 3.271815612e+00 2.56 2.699806121e+00 2.58 2.168817031e+00 2.60 1.675070268e+00 2.62 1.212633069e+00 2.64 7.768366587e-01 2.66 3.643297403e-01 2.68 -2.677972551e-02 2.70 -3.959114483e-01 2.72 -7.387479450e-01 2.74 -1.051562026e+00 2.76 -1.331476569e+00 2.78 -1.575044251e+00 2.80 -1.779859516e+00 2.82 -1.945885843e+00 2.84 -2.075373924e+00 2.86 -2.172286902e+00 2.88 -2.241508949e+00 2.90 -2.286401896e+00 2.92 -2.311492074e+00 2.94 -2.320540844e+00 2.96 -2.318721686e+00 2.98 -2.311009726e+00 3.00 -2.298615388e+00 3.02 -2.279685656e+00 3.04 -2.253465667e+00 3.06 -2.220520586e+00 3.08 -2.182639451e+00 3.10 -2.142610154e+00 3.12 -2.103446552e+00 3.14 -2.065847480e+00 3.16 -2.029525625e+00 3.18 -1.994306687e+00 3.20 -1.960097567e+00 3.22 -1.926842478e+00 3.24 -1.894525274e+00 3.26 -1.863170757e+00 3.28 -1.832844083e+00 3.30 -1.803659485e+00 3.32 -1.775772843e+00 3.34 -1.749283229e+00 3.36 -1.724331352e+00 3.38 -1.700991827e+00 3.40 -1.678380604e+00 3.42 -1.656526027e+00 3.44 -1.635642506e+00 3.46 -1.615951098e+00 3.48 -1.597079594e+00 3.50 -1.578769591e+00 3.52 -1.561265321e+00 3.54 -1.544795892e+00 3.56 -1.529566638e+00 3.58 -1.515715922e+00 3.60 -1.503241568e+00 3.62 -1.492100470e+00 3.64 -1.482229736e+00 3.66 -1.473562078e+00 3.68 -1.466029298e+00 3.70 -1.459511183e+00 3.72 -1.453791900e+00 3.74 -1.448646324e+00 3.76 -1.443851476e+00 3.78 -1.439186332e+00 3.80 -1.434448374e+00 3.82 -1.429503744e+00 3.84 -1.424234911e+00 3.86 -1.418523780e+00 3.88 -1.412285521e+00 3.90 -1.405479560e+00 3.92 -1.398072321e+00 3.94 -1.390035189e+00 3.96 -1.381344597e+00 3.98 -1.371980795e+00 4.00 -1.361931590e+00 4.02 -1.351191452e+00 4.04 -1.339791686e+00 4.06 -1.327849762e+00 4.08 -1.315501556e+00 4.10 -1.302882273e+00 4.12 -1.290125571e+00 4.14 -1.277302721e+00 4.16 -1.264432491e+00 4.18 -1.251530614e+00 4.20 -1.238607840e+00 4.22 -1.225670925e+00 4.24 -1.212721923e+00 4.26 -1.199744462e+00 4.28 -1.186712299e+00 4.30 -1.173596978e+00 4.32 -1.160367716e+00 4.34 -1.146991428e+00 4.36 -1.133432462e+00 4.38 -1.119657949e+00 4.40 -1.105667914e+00 4.42 -1.091475109e+00 4.44 -1.077087822e+00 4.46 -1.062510368e+00 4.48 -1.047761324e+00 4.50 -1.032868974e+00 4.52 -1.017858616e+00 4.54 -1.002752535e+00 4.56 -9.875703719e-01 4.58 -9.723295592e-01 4.60 -9.570458534e-01 4.62 -9.417338880e-01 4.64 -9.264101511e-01 4.66 -9.111021139e-01 4.68 -8.958414092e-01 4.70 -8.806480952e-01 4.72 -8.655217036e-01 4.74 -8.503980329e-01 4.76 -8.351822878e-01 4.78 -8.197801280e-01 4.80 -8.041029882e-01 4.82 -7.880698071e-01 4.84 -7.716035290e-01 4.86 -7.546341449e-01 4.88 -7.370996389e-01 4.90 -7.188841708e-01 4.92 -6.994978837e-01 4.94 -6.790587079e-01 4.96 -6.575834340e-01 4.98 -6.350326155e-01 5.00 -6.113813703e-01 5.02 -5.866169677e-01 5.04 -5.607392757e-01 5.06 -5.337642006e-01 5.08 -5.057606771e-01 5.10 -4.768409100e-01 5.12 -4.471312976e-01 5.14 -4.167716431e-01 5.16 -3.859231808e-01 5.18 -3.547762813e-01 5.20 -3.235354164e-01 5.22 -2.924164354e-01 5.24 -2.616455895e-01 5.26 -2.314599397e-01 5.28 -2.021055902e-01 5.30 -1.738244694e-01 5.32 -1.468648731e-01 5.34 -1.214161221e-01 5.36 -9.762198958e-02 5.38 -7.594170200e-02 5.40 -5.674662184e-02 5.42 -4.030594958e-02 5.44 -2.681197615e-02 5.46 -1.640824920e-02 5.48 -9.214102993e-03 5.50 -5.380583436e-03 5.52 -3.765033727e-03 5.54 -2.495202170e-03 5.56 -1.542191380e-03 5.58 -9.144172725e-04 5.60 -4.688994554e-04 5.62 -1.657562960e-04 5.64 -1.524225659e-05 5.66 2.038324791e-07 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00