# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Islam-M-M-Ostadhossein-A-Borodin-O-et-al--Li-S # implementation = 2015--Islam-M-M--Li-S--LAMMPS--ipr1 # composition = LiS2 # 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 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 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 1.950405756e+02 1.56 1.715821475e+02 1.58 1.507465771e+02 1.60 1.322253210e+02 1.62 1.157069083e+02 1.64 1.009246083e+02 1.66 8.758817093e+01 1.68 7.558884133e+01 1.70 6.468667724e+01 1.72 5.476451046e+01 1.74 4.563778630e+01 1.76 3.731269339e+01 1.78 2.964442867e+01 1.80 2.256030014e+01 1.82 1.600705902e+01 1.84 9.916009936e+00 1.86 4.248777872e+00 1.88 -1.009503239e+00 1.90 -5.900889608e+00 1.92 -1.044877114e+01 1.94 -1.466501902e+01 1.96 -1.862132207e+01 1.98 -2.232093308e+01 2.00 -2.575957915e+01 2.02 -2.895851595e+01 2.04 -3.193783679e+01 2.06 -3.472040357e+01 2.08 -3.731882935e+01 2.10 -3.973298548e+01 2.12 -4.200602880e+01 2.14 -4.414737314e+01 2.16 -4.619707573e+01 2.18 -4.823123510e+01 2.20 -5.031746726e+01 2.22 -5.208324400e+01 2.24 -5.301517206e+01 2.26 -5.350691463e+01 2.28 -5.392330527e+01 2.30 -5.431381300e+01 2.32 -5.466437270e+01 2.34 -5.496765248e+01 2.36 -5.522704587e+01 2.38 -5.545015909e+01 2.40 -5.564550696e+01 2.42 -5.582136879e+01 2.44 -5.598548545e+01 2.46 -5.614496397e+01 2.48 -5.628219128e+01 2.50 -5.645122276e+01 2.52 -5.663730576e+01 2.54 -5.685341141e+01 2.56 -5.711972036e+01 2.58 -5.746386714e+01 2.60 -5.791459024e+01 2.62 -5.848656280e+01 2.64 -6.008433997e+01 2.66 -6.070379546e+01 2.68 -6.125893075e+01 2.70 -6.134966428e+01 2.72 -6.036738714e+01 2.74 -5.902518480e+01 2.76 -5.775058633e+01 2.78 -5.651848558e+01 2.80 -5.527268720e+01 2.82 -5.402377062e+01 2.84 -5.277240672e+01 2.86 -5.152076126e+01 2.88 -5.027078492e+01 2.90 -4.909516277e+01 2.92 -4.784214569e+01 2.94 -4.659050484e+01 2.96 -4.533435058e+01 2.98 -4.406977040e+01 3.00 -4.279931586e+01 3.02 -4.152536385e+01 3.04 -4.025139661e+01 3.06 -3.897655588e+01 3.08 -3.769333276e+01 3.10 -3.643548002e+01 3.12 -3.521539959e+01 3.14 -3.404345829e+01 3.16 -3.293483065e+01 3.18 -3.187548363e+01 3.20 -3.086976542e+01 3.22 -2.992075004e+01 3.24 -2.903029572e+01 3.26 -2.819917424e+01 3.28 -2.742723070e+01 3.30 -2.671354860e+01 3.32 -2.605660598e+01 3.34 -2.545441574e+01 3.36 -2.490464135e+01 3.38 -2.440467088e+01 3.40 -2.395169024e+01 3.42 -2.354275614e+01 3.44 -2.317485668e+01 3.46 -2.284496087e+01 3.48 -2.255005867e+01 3.50 -2.228719294e+01 3.52 -2.205348421e+01 3.54 -2.184614943e+01 3.56 -2.166251931e+01 3.58 -2.150007109e+01 3.60 -2.135644888e+01 3.62 -2.122945738e+01 3.64 -2.111706400e+01 3.66 -2.101736495e+01 3.68 -2.092851670e+01 3.70 -2.084845549e+01 3.72 -2.077291313e+01 3.74 -2.028174640e+01 3.76 -2.025102643e+01 3.78 -2.022065786e+01 3.80 -2.019061420e+01 3.82 -2.016086787e+01 3.84 -2.013139053e+01 3.86 -2.010215327e+01 3.88 -2.007312695e+01 3.90 -2.004428378e+01 3.92 -2.001560331e+01 3.94 -1.998707551e+01 3.96 -1.995870143e+01 3.98 -1.993049366e+01 4.00 -1.990247474e+01 4.02 -1.987466759e+01 4.04 -1.984709065e+01 4.06 -1.981975788e+01 4.08 -1.979267878e+01 4.10 -1.976585849e+01 4.12 -1.973929782e+01 4.14 -1.971299333e+01 4.16 -1.968693731e+01 4.18 -1.966111789e+01 4.20 -1.963551902e+01 4.22 -1.961012049e+01 4.24 -1.958489798e+01 4.26 -1.955982305e+01 4.28 -1.953486314e+01 4.30 -1.950998161e+01 4.32 -1.948513772e+01 4.34 -1.946028664e+01 4.36 -1.943538035e+01 4.38 -1.941037034e+01 4.40 -1.938520856e+01 4.42 -1.935984762e+01 4.44 -1.933424085e+01 4.46 -1.930834240e+01 4.48 -1.928210740e+01 4.50 -1.925549202e+01 4.52 -1.922845362e+01 4.54 -1.920095080e+01 4.56 -1.917294358e+01 4.58 -1.914439345e+01 4.60 -1.911526348e+01 4.62 -1.908551846e+01 4.64 -1.905512492e+01 4.66 -1.902405133e+01 4.68 -1.899226810e+01 4.70 -1.895974771e+01 4.72 -1.892646479e+01 4.74 -1.889239622e+01 4.76 -1.885752116e+01 4.78 -1.882182116e+01 4.80 -1.878528025e+01 4.82 -1.874788492e+01 4.84 -1.870962427e+01 4.86 -1.867049001e+01 4.88 -1.863047650e+01 4.90 -1.858958082e+01 4.92 -1.854780281e+01 4.94 -1.850514504e+01 4.96 -1.846161291e+01 4.98 -1.841721461e+01 5.00 -1.837196114e+01 5.02 -1.832586639e+01 5.04 -1.827894754e+01 5.06 -1.823122558e+01 5.08 -1.818272527e+01 5.10 -1.813347518e+01 5.12 -1.808350764e+01 5.14 -1.803285867e+01 5.16 -1.798156801e+01 5.18 -1.792967903e+01 5.20 -1.787723867e+01 5.22 -1.782429741e+01 5.24 -1.777090910e+01 5.26 -1.771712898e+01 5.28 -1.766301119e+01 5.30 -1.760860846e+01 5.32 -1.755397205e+01 5.34 -1.749915170e+01 5.36 -1.744419567e+01 5.38 -1.738915064e+01 5.40 -1.733406176e+01 5.42 -1.727897260e+01 5.44 -1.722392516e+01 5.46 -1.716895983e+01 5.48 -1.711411543e+01 5.50 -1.705942920e+01 5.52 -1.700493678e+01 5.54 -1.695067223e+01 5.56 -1.689666802e+01 5.58 -1.684295509e+01 5.60 -1.678956278e+01 5.62 -1.673651891e+01 5.64 -1.668384976e+01 5.66 -1.663158008e+01 5.68 -1.657973313e+01 5.70 -1.652833067e+01 5.72 -1.647739298e+01 5.74 -1.642693888e+01 5.76 -1.637698576e+01 5.78 -1.632754957e+01 5.80 -1.627864484e+01 5.82 -1.623028472e+01 5.84 -1.618248098e+01 5.86 -1.613524400e+01 5.88 -1.608858283e+01 5.90 -1.604250518e+01 5.92 -1.599701744e+01 5.94 -1.595212467e+01 5.96 -1.590783064e+01 5.98 -1.586413783e+01 6.00 -1.582104745e+01