# 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 = Cu2Pt # 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 6.978732074e+02 0.86 6.328685448e+02 0.88 5.740633681e+02 0.90 5.208065426e+02 0.92 4.725363684e+02 0.94 4.287491017e+02 0.96 3.890134873e+02 0.98 3.529449386e+02 1.00 3.202043429e+02 1.02 2.904819099e+02 1.04 2.635032085e+02 1.06 2.390147816e+02 1.08 2.167979694e+02 1.10 1.966491181e+02 1.12 1.783811679e+02 1.14 1.618225621e+02 1.16 1.468099023e+02 1.18 1.332061871e+02 1.20 1.208805928e+02 1.22 1.097149210e+02 1.24 9.960343536e+01 1.26 9.044549035e+01 1.28 8.215188413e+01 1.30 7.463726348e+01 1.32 6.782737390e+01 1.34 6.165693241e+01 1.36 5.606268916e+01 1.38 5.098641681e+01 1.40 4.638051993e+01 1.42 4.219798525e+01 1.44 3.839530861e+01 1.46 3.493631177e+01 1.48 3.178877056e+01 1.50 2.892144929e+01 1.52 2.630633615e+01 1.54 2.391770776e+01 1.56 2.173416859e+01 1.58 1.973558492e+01 1.60 1.791013478e+01 1.62 1.624083189e+01 1.64 1.471496540e+01 1.66 1.331927925e+01 1.68 1.204158984e+01 1.70 1.087091918e+01 1.72 9.797654614e+00 1.74 8.765092660e+00 1.76 7.823991708e+00 1.78 6.932047204e+00 1.80 6.088268328e+00 1.82 5.290494918e+00 1.84 4.536750812e+00 1.86 3.825406565e+00 1.88 3.155023869e+00 1.90 2.524266957e+00 1.92 1.931755763e+00 1.94 1.374891475e+00 1.96 8.546731201e-01 1.98 3.696188352e-01 2.00 -8.145949706e-02 2.02 -4.996704713e-01 2.04 -8.862773194e-01 2.06 -1.242312318e+00 2.08 -1.569312610e+00 2.10 -1.867274205e+00 2.12 -2.138436073e+00 2.14 -2.384890128e+00 2.16 -2.608191414e+00 2.18 -2.809245903e+00 2.20 -2.989237573e+00 2.22 -3.149395266e+00 2.24 -3.290916228e+00 2.26 -3.414961924e+00 2.28 -3.522654730e+00 2.30 -3.614803932e+00 2.32 -3.692178962e+00 2.34 -3.756400118e+00 2.36 -3.808110407e+00 2.38 -3.848479521e+00 2.40 -3.878368476e+00 2.42 -3.898582829e+00 2.44 -3.909884897e+00 2.46 -3.912994504e+00 2.48 -3.908747450e+00 2.50 -3.898109569e+00 2.52 -3.881151494e+00 2.54 -3.858446325e+00 2.56 -3.830523440e+00 2.58 -3.797841255e+00 2.60 -3.762528043e+00 2.62 -3.723821382e+00 2.64 -3.680602652e+00 2.66 -3.633176263e+00 2.68 -3.583116290e+00 2.70 -3.530703599e+00 2.72 -3.476228130e+00 2.74 -3.419952960e+00 2.76 -3.362135000e+00 2.78 -3.302474577e+00 2.80 -3.241826645e+00 2.82 -3.180291263e+00 2.84 -3.118049309e+00 2.86 -3.055270058e+00 2.88 -2.992108913e+00 2.90 -2.928708478e+00 2.92 -2.865199426e+00 2.94 -2.801701299e+00 2.96 -2.738323284e+00 2.98 -2.675164925e+00 3.00 -2.612316796e+00 3.02 -2.549867202e+00 3.04 -2.488458176e+00 3.06 -2.428331839e+00 3.08 -2.368732262e+00 3.10 -2.309727732e+00 3.12 -2.251370331e+00 3.14 -2.193706904e+00 3.16 -2.136777709e+00 3.18 -2.080617612e+00 3.20 -2.025286561e+00 3.22 -1.970767966e+00 3.24 -1.917019598e+00 3.26 -1.864445365e+00 3.28 -1.812609540e+00 3.30 -1.761458724e+00 3.32 -1.711226013e+00 3.34 -1.661962853e+00 3.36 -1.613634800e+00 3.38 -1.566240941e+00 3.40 -1.519794528e+00 3.42 -1.474287637e+00 3.44 -1.429711938e+00 3.46 -1.386062557e+00 3.48 -1.343301445e+00 3.50 -1.301387236e+00 3.52 -1.260316742e+00 3.54 -1.220140105e+00 3.56 -1.180900625e+00 3.58 -1.142597870e+00 3.60 -1.105211569e+00 3.62 -1.068730207e+00 3.64 -1.033145405e+00 3.66 -9.984307414e-01 3.68 -9.645702259e-01 3.70 -9.315611973e-01 3.72 -8.994020843e-01 3.74 -8.680867078e-01 3.76 -8.375643686e-01 3.78 -8.077541164e-01 3.80 -7.786986541e-01 3.82 -7.504369388e-01 3.84 -7.229976434e-01 3.86 -6.963575063e-01 3.88 -6.705040643e-01 3.90 -6.454829256e-01 3.92 -6.214043284e-01 3.94 -5.981697505e-01 3.96 -5.756547395e-01 3.98 -5.537646880e-01 4.00 -5.324315279e-01 4.02 -5.116603858e-01 4.04 -4.913654974e-01 4.06 -4.714430691e-01 4.08 -4.518196459e-01 4.10 -4.324460740e-01 4.12 -4.132924406e-01 4.14 -3.943171539e-01 4.16 -3.754860058e-01 4.18 -3.568738802e-01 4.20 -3.385474807e-01 4.22 -3.205614106e-01 4.24 -3.029598420e-01 4.26 -2.857549067e-01 4.28 -2.688957417e-01 4.30 -2.538703393e-01 4.32 -2.398898024e-01 4.34 -2.263662554e-01 4.36 -2.133327624e-01 4.38 -2.008004157e-01 4.40 -1.887741111e-01 4.42 -1.772537034e-01 4.44 -1.662349630e-01 4.46 -1.557103846e-01 4.48 -1.456698731e-01 4.50 -1.361013207e-01 4.52 -1.269910922e-01 4.54 -1.183244305e-01 4.56 -1.100857939e-01 4.58 -1.022591386e-01 4.60 -9.482814713e-02 4.62 -8.777641785e-02 4.64 -8.108761822e-02 4.66 -7.474560787e-02 4.68 -6.873453627e-02 4.70 -6.303891886e-02 4.72 -5.764369558e-02 4.74 -5.253427478e-02 4.76 -4.769656311e-02 4.78 -4.311698639e-02 4.80 -3.878250172e-02 4.82 -3.468060256e-02 4.84 -3.079931824e-02 4.86 -2.712720871e-02 4.88 -2.365335660e-02 4.90 -2.036735535e-02 4.92 -1.725877848e-02 4.94 -1.427070039e-02 4.96 -1.228877916e-02 4.98 -1.120622675e-02 5.00 -1.015143695e-02 5.02 -9.156947434e-03 5.04 -8.219644541e-03 5.06 -7.336348899e-03 5.08 -6.504050786e-03 5.10 -5.719901700e-03 5.12 -4.981206269e-03 5.14 -4.285414485e-03 5.16 -3.630114283e-03 5.18 -3.013024450e-03 5.20 -2.431987849e-03 5.22 -1.884964953e-03 5.24 -1.370027691e-03 5.26 -8.853536024e-04 5.28 -4.294971401e-04 5.30 -6.674330854e-16 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 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