# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2Pt # 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 1.273564140e+03 0.90 1.164017544e+03 0.92 1.065150420e+03 0.94 9.757642326e+02 0.96 8.948121991e+02 0.98 8.213803829e+02 1.00 7.546665376e+02 1.02 6.939671873e+02 1.04 6.386616066e+02 1.06 5.882021303e+02 1.08 5.421053577e+02 1.10 4.999411922e+02 1.12 4.613288253e+02 1.14 4.259297348e+02 1.16 3.934413847e+02 1.18 3.635941078e+02 1.20 3.361466889e+02 1.22 3.108829232e+02 1.24 2.876078910e+02 1.26 2.661470134e+02 1.28 2.463430754e+02 1.30 2.280545939e+02 1.32 2.111525928e+02 1.34 1.955210154e+02 1.36 1.810547977e+02 1.38 1.676584801e+02 1.40 1.552453996e+02 1.42 1.437368654e+02 1.44 1.330606381e+02 1.46 1.231512493e+02 1.48 1.139487598e+02 1.50 1.053983524e+02 1.52 9.744996773e+01 1.54 9.005777281e+01 1.56 8.317982551e+01 1.58 7.677743084e+01 1.60 7.081483476e+01 1.62 6.525955325e+01 1.64 6.008163377e+01 1.66 5.525344201e+01 1.68 5.074959729e+01 1.70 4.654672282e+01 1.72 4.262325826e+01 1.74 3.895925134e+01 1.76 3.553632114e+01 1.78 3.234153428e+01 1.80 2.935589388e+01 1.82 2.657314077e+01 1.84 2.398313261e+01 1.86 2.157750294e+01 1.88 1.934497031e+01 1.90 1.727486130e+01 1.92 1.535713271e+01 1.94 1.358235205e+01 1.96 1.194161511e+01 1.98 1.042646739e+01 2.00 9.028935372e+00 2.02 7.741515626e+00 2.04 6.557108957e+00 2.06 5.468998129e+00 2.08 4.470826962e+00 2.10 3.556581444e+00 2.12 2.720560473e+00 2.14 1.957314079e+00 2.16 1.261664536e+00 2.18 6.287990548e-01 2.20 5.453342376e-02 2.22 -4.656083634e-01 2.24 -9.356245266e-01 2.26 -1.358958792e+00 2.28 -1.739291153e+00 2.30 -2.080011828e+00 2.32 -2.384271336e+00 2.34 -2.654860163e+00 2.36 -2.894458722e+00 2.38 -3.105558557e+00 2.40 -3.290471837e+00 2.42 -3.451448422e+00 2.44 -3.590393314e+00 2.46 -3.708993943e+00 2.48 -3.808901117e+00 2.50 -3.891821904e+00 2.52 -3.959003868e+00 2.54 -4.012042308e+00 2.56 -4.052166241e+00 2.58 -4.080514015e+00 2.60 -4.098134538e+00 2.62 -4.105994265e+00 2.64 -4.104983690e+00 2.66 -4.095923412e+00 2.68 -4.079569686e+00 2.70 -4.056619605e+00 2.72 -4.027715859e+00 2.74 -3.993451086e+00 2.76 -3.954367482e+00 2.78 -3.911456684e+00 2.80 -3.865137370e+00 2.82 -3.815380997e+00 2.84 -3.762580830e+00 2.86 -3.707139919e+00 2.88 -3.648749980e+00 2.90 -3.587717397e+00 2.92 -3.524963001e+00 2.94 -3.460813888e+00 2.96 -3.395461886e+00 2.98 -3.329137011e+00 3.00 -3.262045776e+00 3.02 -3.194378084e+00 3.04 -3.126308394e+00 3.06 -3.057996816e+00 3.08 -2.989590116e+00 3.10 -2.921222693e+00 3.12 -2.853017388e+00 3.14 -2.785086179e+00 3.16 -2.717531047e+00 3.18 -2.650444940e+00 3.20 -2.583911734e+00 3.22 -2.518007238e+00 3.24 -2.452791617e+00 3.26 -2.388775377e+00 3.28 -2.325695546e+00 3.30 -2.263444656e+00 3.32 -2.202068486e+00 3.34 -2.141605904e+00 3.36 -2.082093503e+00 3.38 -2.023559957e+00 3.40 -1.966069544e+00 3.42 -1.910098926e+00 3.44 -1.855146381e+00 3.46 -1.801227669e+00 3.48 -1.748350813e+00 3.50 -1.696550235e+00 3.52 -1.645847956e+00 3.54 -1.596217152e+00 3.56 -1.547611798e+00 3.58 -1.499990528e+00 3.60 -1.453291392e+00 3.62 -1.407503190e+00 3.64 -1.362682458e+00 3.66 -1.318909602e+00 3.68 -1.276229856e+00 3.70 -1.234606063e+00 3.72 -1.194028735e+00 3.74 -1.154495193e+00 3.76 -1.116003716e+00 3.78 -1.078543190e+00 3.80 -1.041939950e+00 3.82 -1.006212363e+00 3.84 -9.714497058e-01 3.86 -9.377059107e-01 3.88 -9.050227631e-01 3.90 -8.734327203e-01 3.92 -8.429551644e-01 3.94 -8.136867593e-01 3.96 -7.856410072e-01 3.98 -7.584970432e-01 4.00 -7.320701437e-01 4.02 -7.062355770e-01 4.04 -6.809061121e-01 4.06 -6.560240771e-01 4.08 -6.315547854e-01 4.10 -6.074811164e-01 4.12 -5.838293527e-01 4.14 -5.606209915e-01 4.16 -5.377833431e-01 4.18 -5.152410746e-01 4.20 -4.929177171e-01 4.22 -4.708942828e-01 4.24 -4.492488509e-01 4.26 -4.280449448e-01 4.28 -4.073335851e-01 4.30 -3.871550583e-01 4.32 -3.675404425e-01 4.34 -3.485129206e-01 4.36 -3.300883118e-01 4.38 -3.122477272e-01 4.40 -2.950095295e-01 4.42 -2.784073627e-01 4.44 -2.624623630e-01 4.46 -2.471854543e-01 4.48 -2.325792868e-01 4.50 -2.186398668e-01 4.52 -2.053579255e-01 4.54 -1.927200650e-01 4.56 -1.807097162e-01 4.58 -1.693079316e-01 4.60 -1.584940424e-01 4.62 -1.482461998e-01 4.64 -1.385418187e-01 4.66 -1.293579384e-01 4.68 -1.206715131e-01 4.70 -1.124596445e-01 4.72 -1.046997655e-01 4.74 -9.736978322e-02 4.76 -9.044818863e-02 4.78 -8.391413722e-02 4.80 -7.773462952e-02 4.82 -7.228447722e-02 4.84 -6.728897964e-02 4.86 -6.257073659e-02 4.88 -5.811520436e-02 4.90 -5.390847041e-02 4.92 -4.993724847e-02 4.94 -4.618886916e-02 4.96 -4.265126642e-02 4.98 -3.931296156e-02 5.00 -3.616304513e-02 5.02 -3.319115800e-02 5.04 -3.038747115e-02 5.06 -2.774266407e-02 5.08 -2.524790376e-02 5.10 -2.289482348e-02 5.12 -2.067550196e-02 5.14 -1.858244251e-02 5.16 -1.660855267e-02 5.18 -1.474712452e-02 5.20 -1.299181564e-02 5.22 -1.133663083e-02 5.24 -9.775904100e-03 5.26 -8.304264092e-03 5.28 -6.917802713e-03 5.30 -5.636729552e-03 5.32 -4.987112895e-03 5.34 -4.394377645e-03 5.36 -3.841452103e-03 5.38 -3.321791499e-03 5.40 -2.833449404e-03 5.42 -2.374589975e-03 5.44 -1.943481873e-03 5.46 -1.538492513e-03 5.48 -1.158082632e-03 5.50 -8.008011480e-04 5.52 -4.652802116e-04 5.54 -1.482084367e-04 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 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