# 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 = Li2S # 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 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 4.959312413e+01 1.70 4.080901343e+01 1.72 3.260305031e+01 1.74 2.492920917e+01 1.76 1.770978891e+01 1.78 9.752645841e+00 1.80 3.359610197e+00 1.82 -2.645009020e+00 1.84 -8.345818033e+00 1.86 -1.373614518e+01 1.88 -1.879756291e+01 1.90 -2.354800778e+01 1.92 -2.798531320e+01 1.94 -3.216539029e+01 1.96 -3.610138399e+01 1.98 -3.980577721e+01 2.00 -4.326734205e+01 2.02 -4.650260713e+01 2.04 -4.950395987e+01 2.06 -5.233746257e+01 2.08 -5.498434526e+01 2.10 -5.744963276e+01 2.12 -5.974229977e+01 2.14 -6.187036188e+01 2.16 -6.384088000e+01 2.18 -6.563241862e+01 2.20 -6.730406175e+01 2.22 -6.883346034e+01 2.24 -7.022423963e+01 2.26 -7.147949303e+01 2.28 -7.260181543e+01 2.30 -7.359286445e+01 2.32 -7.445320581e+01 2.34 -7.514768243e+01 2.36 -7.574481608e+01 2.38 -7.622497041e+01 2.40 -7.657663986e+01 2.42 -7.680501001e+01 2.44 -7.692766476e+01 2.46 -7.697628050e+01 2.48 -7.699044887e+01 2.50 -7.698906552e+01 2.52 -7.692826950e+01 2.54 -7.664504956e+01 2.56 -7.613148108e+01 2.58 -7.548338558e+01 2.60 -7.476311603e+01 2.62 -7.397992737e+01 2.64 -7.314325980e+01 2.66 -7.226259694e+01 2.68 -7.134742773e+01 2.70 -7.040771816e+01 2.72 -6.945596624e+01 2.74 -6.851184266e+01 2.76 -6.760740286e+01 2.78 -6.678373737e+01 2.80 -6.597804024e+01 2.82 -6.534916860e+01 2.84 -6.474540278e+01 2.86 -6.396305361e+01 2.88 -6.267108224e+01 2.90 -6.121713022e+01 2.92 -5.983618906e+01 2.94 -5.851366507e+01 2.96 -5.723424338e+01 2.98 -5.598852688e+01 3.00 -5.476733609e+01 3.02 -5.355983328e+01 3.04 -5.235398428e+01 3.06 -5.113796136e+01 3.08 -4.990170366e+01 3.10 -4.863779469e+01 3.12 -4.734175518e+01 3.14 -4.601543849e+01 3.16 -4.466831195e+01 3.18 -4.331039535e+01 3.20 -4.195270912e+01 3.22 -4.060744945e+01 3.24 -3.928650948e+01 3.26 -3.800053695e+01 3.28 -3.675846247e+01 3.30 -3.556732513e+01 3.32 -3.443230504e+01 3.34 -3.335688485e+01 3.36 -3.234306992e+01 3.38 -3.139160302e+01 3.40 -3.050218947e+01 3.42 -2.967371577e+01 3.44 -2.890443949e+01 3.46 -2.819214889e+01 3.48 -2.753429413e+01 3.50 -2.692809319e+01 3.52 -2.637061642e+01 3.54 -2.585885294e+01 3.56 -2.538976678e+01 3.58 -2.496036366e+01 3.60 -2.456773787e+01 3.62 -2.420909536e+01 3.64 -2.388177018e+01 3.66 -2.358323532e+01 3.68 -2.331111003e+01 3.70 -2.306316444e+01 3.72 -2.283732472e+01 3.74 -2.263321172e+01 3.76 -2.247065318e+01 3.78 -2.231984488e+01 3.80 -2.218002773e+01 3.82 -2.205045752e+01 3.84 -2.193040767e+01 3.86 -2.181917113e+01 3.88 -2.171606169e+01 3.90 -2.162041558e+01 3.92 -2.153159643e+01 3.94 -2.144899437e+01 3.96 -2.137201706e+01 3.98 -2.130006979e+01 4.00 -2.123250594e+01 4.02 -2.116849104e+01 4.04 -2.110659316e+01 4.06 -2.104294971e+01 4.08 -2.095362754e+01 4.10 -2.003715037e+01 4.12 -2.001062021e+01 4.14 -1.998430237e+01 4.16 -1.995818901e+01 4.18 -1.993226775e+01 4.20 -1.990652164e+01 4.22 -1.988092918e+01 4.24 -1.985546436e+01 4.26 -1.983009667e+01 4.28 -1.980479105e+01 4.30 -1.977950798e+01 4.32 -1.975420340e+01 4.34 -1.972882877e+01 4.36 -1.970333202e+01 4.38 -1.967766056e+01 4.40 -1.965176239e+01 4.42 -1.962558621e+01 4.44 -1.959908155e+01 4.46 -1.957219892e+01 4.48 -1.954488988e+01 4.50 -1.951710719e+01 4.52 -1.948880493e+01 4.54 -1.945993861e+01 4.56 -1.943046530e+01 4.58 -1.940034370e+01 4.60 -1.936953435e+01 4.62 -1.933799961e+01 4.64 -1.930570390e+01 4.66 -1.927261371e+01 4.68 -1.923869774e+01 4.70 -1.920392701e+01 4.72 -1.916827492e+01 4.74 -1.913171737e+01 4.76 -1.909423282e+01 4.78 -1.905580240e+01 4.80 -1.901640996e+01 4.82 -1.897604213e+01 4.84 -1.893468840e+01 4.86 -1.889234119e+01 4.88 -1.884899585e+01 4.90 -1.880465075e+01 4.92 -1.875930729e+01 4.94 -1.871296995e+01 4.96 -1.866564625e+01 4.98 -1.861734687e+01 5.00 -1.856808555e+01 5.02 -1.851787919e+01 5.04 -1.846674837e+01 5.06 -1.841471779e+01 5.08 -1.836181634e+01 5.10 -1.830807705e+01 5.12 -1.825353707e+01 5.14 -1.819823760e+01 5.16 -1.814222387e+01 5.18 -1.808554504e+01 5.20 -1.802825419e+01 5.22 -1.797040820e+01 5.24 -1.791206759e+01 5.26 -1.785329431e+01 5.28 -1.779414907e+01 5.30 -1.773469088e+01 5.32 -1.767497707e+01 5.34 -1.761506323e+01 5.36 -1.755500321e+01 5.38 -1.749484905e+01 5.40 -1.743465103e+01 5.42 -1.737445761e+01 5.44 -1.731431546e+01 5.46 -1.725426940e+01 5.48 -1.719436247e+01 5.50 -1.713463587e+01 5.52 -1.707512900e+01 5.54 -1.701587948e+01 5.56 -1.695692312e+01 5.58 -1.689829396e+01 5.60 -1.684002427e+01 5.62 -1.678214460e+01 5.64 -1.672468375e+01 5.66 -1.666766880e+01 5.68 -1.661112517e+01 5.70 -1.655507658e+01 5.72 -1.649954512e+01 5.74 -1.644455122e+01 5.76 -1.639011374e+01 5.78 -1.633624991e+01 5.80 -1.628297543e+01 5.82 -1.623030441e+01 5.84 -1.617824947e+01 5.86 -1.612682170e+01 5.88 -1.607603070e+01 5.90 -1.602588460e+01 5.92 -1.597639007e+01 5.94 -1.592755234e+01 5.96 -1.587937523e+01 5.98 -1.583186112e+01 6.00 -1.578501102e+01