# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Guo-J-Ward-L-Babuji-Y-et-al--Li-K-Cl # implementation = 2022--Guo-J--Li-K-Cl--LAMMPS--ipr1 # composition = 17192 # 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 2022-12-14 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 1.483948885e+01 1.66 1.323289617e+01 1.68 1.167759329e+01 1.70 1.015662196e+01 1.72 8.663056071e+00 1.74 7.200515252e+00 1.76 5.785824594e+00 1.78 4.427322079e+00 1.80 3.119709342e+00 1.82 1.863107686e+00 1.84 6.677064670e-01 1.86 -4.633825538e-01 1.88 -1.528990243e+00 1.90 -2.527505329e+00 1.92 -3.454207749e+00 1.94 -4.300379830e+00 1.96 -5.070080342e+00 1.98 -5.762571111e+00 2.00 -6.377767909e+00 2.02 -6.927516610e+00 2.04 -7.426995873e+00 2.06 -7.888061755e+00 2.08 -8.318406162e+00 2.10 -8.720742516e+00 2.12 -9.085810161e+00 2.14 -9.415449295e+00 2.16 -9.713692139e+00 2.18 -9.987421853e+00 2.20 -1.024401001e+01 2.22 -1.048985628e+01 2.24 -1.072931231e+01 2.26 -1.096387023e+01 2.28 -1.119197401e+01 2.30 -1.140870665e+01 2.32 -1.159960653e+01 2.34 -1.176253680e+01 2.36 -1.190227764e+01 2.38 -1.201555904e+01 2.40 -1.210233263e+01 2.42 -1.216500861e+01 2.44 -1.220619308e+01 2.46 -1.222861630e+01 2.48 -1.223327534e+01 2.50 -1.222126722e+01 2.52 -1.219542361e+01 2.54 -1.215843600e+01 2.56 -1.211286811e+01 2.58 -1.205883328e+01 2.60 -1.198932096e+01 2.62 -1.190816883e+01 2.64 -1.182045505e+01 2.66 -1.173049165e+01 2.68 -1.164135359e+01 2.70 -1.155459591e+01 2.72 -1.147033524e+01 2.74 -1.138771959e+01 2.76 -1.130560088e+01 2.78 -1.122312794e+01 2.80 -1.114006775e+01 2.82 -1.105684314e+01 2.84 -1.097439925e+01 2.86 -1.089402488e+01 2.88 -1.081719474e+01 2.90 -1.074542785e+01 2.92 -1.068011670e+01 2.94 -1.062229552e+01 2.96 -1.057238553e+01 2.98 -1.052908425e+01 3.00 -1.049073456e+01 3.02 -1.045618231e+01 3.04 -1.042229263e+01 3.06 -1.038842906e+01 3.08 -1.035617400e+01 3.10 -1.032843391e+01 3.12 -1.030226478e+01 3.14 -1.027730849e+01 3.16 -1.025411257e+01 3.18 -1.023276305e+01 3.20 -1.021292860e+01 3.22 -1.019400266e+01 3.24 -1.017529575e+01 3.26 -1.015621980e+01 3.28 -1.013642054e+01 3.30 -1.011583840e+01 3.32 -1.009470006e+01 3.34 -1.007345370e+01 3.36 -1.005266370e+01 3.38 -1.003288163e+01 3.40 -1.001451307e+01 3.42 -9.997706829e+00 3.44 -9.982296907e+00 3.46 -9.967822383e+00 3.48 -9.953629684e+00 3.50 -9.939031996e+00 3.52 -9.923475375e+00 3.54 -9.906656271e+00 3.56 -9.888555130e+00 3.58 -9.869384838e+00 3.60 -9.849483398e+00 3.62 -9.829194075e+00 3.64 -9.808388727e+00 3.66 -9.786274243e+00 3.68 -9.763005706e+00 3.70 -9.738805461e+00 3.72 -9.713906066e+00 3.74 -9.688542095e+00 3.76 -9.662942427e+00 3.78 -9.637323395e+00 3.80 -9.611883059e+00 3.82 -9.586796791e+00 3.84 -9.562214235e+00 3.86 -9.538257614e+00 3.88 -9.515021282e+00 3.90 -9.492572384e+00 3.92 -9.470952436e+00 3.94 -9.450179633e+00 3.96 -9.430251705e+00 3.98 -9.411149095e+00 4.00 -9.392838282e+00 4.02 -9.375275010e+00 4.04 -9.358407194e+00 4.06 -9.342177298e+00 4.08 -9.326523954e+00 4.10 -9.311382719e+00 4.12 -9.296685889e+00 4.14 -9.282361494e+00 4.16 -9.268331662e+00 4.18 -9.254510735e+00 4.20 -9.240803553e+00 4.22 -9.227104393e+00 4.24 -9.213296972e+00 4.26 -9.199255834e+00 4.28 -9.184811727e+00 4.30 -9.169681057e+00 4.32 -9.153579145e+00 4.34 -9.136256108e+00 4.36 -9.117514524e+00 4.38 -9.097223157e+00 4.40 -9.075324442e+00 4.42 -9.051834456e+00 4.44 -9.026835362e+00 4.46 -9.000461605e+00 4.48 -8.972882067e+00 4.50 -8.944280726e+00 4.52 -8.914838231e+00 4.54 -8.884716205e+00 4.56 -8.854045333e+00 4.58 -8.822917591e+00 4.60 -8.791382437e+00 4.62 -8.759446481e+00 4.64 -8.727076042e+00 4.66 -8.694202049e+00 4.68 -8.660726830e+00 4.70 -8.626532468e+00 4.72 -8.591490418e+00 4.74 -8.555472099e+00 4.76 -8.518360080e+00 4.78 -8.480059314e+00 4.80 -8.440507739e+00 4.82 -8.399685408e+00 4.84 -8.357621285e+00 4.86 -8.314396937e+00 4.88 -8.270146546e+00 4.90 -8.225053080e+00 4.92 -8.179340835e+00 4.94 -8.132366711e+00 4.96 -8.083528811e+00 4.98 -8.033152812e+00 5.00 -7.981576784e+00 5.02 -7.929142627e+00 5.04 -7.876188601e+00 5.06 -7.823043585e+00 5.08 -7.770023314e+00 5.10 -7.717428361e+00 5.12 -7.665543344e+00 5.14 -7.614305093e+00 5.16 -7.562930290e+00 5.18 -7.511747068e+00 5.20 -7.461168062e+00 5.22 -7.411582837e+00 5.24 -7.363346185e+00 5.26 -7.316769169e+00 5.28 -7.272113493e+00 5.30 -7.229589299e+00 5.32 -7.189356116e+00 5.34 -7.151526375e+00 5.36 -7.116170697e+00 5.38 -7.083324153e+00 5.40 -7.052992710e+00 5.42 -7.025159223e+00 5.44 -6.999788515e+00 5.46 -6.976831246e+00 5.48 -6.956226467e+00 5.50 -6.937902908e+00 5.52 -6.921779176e+00 5.54 -6.907763163e+00 5.56 -6.895750996e+00 5.58 -6.885625932e+00 5.60 -6.877257556e+00 5.62 -6.870501606e+00 5.64 -6.865200653e+00 5.66 -6.861185769e+00 5.68 -6.858279198e+00 5.70 -6.856297939e+00 5.72 -6.855058112e+00 5.74 -6.854379922e+00 5.76 -6.854093065e+00 5.78 -6.854042450e+00 5.80 -6.854094190e+00 5.82 -6.854141848e+00 5.84 -6.854113006e+00 5.86 -6.853976226e+00 5.88 -6.853748494e+00 5.90 -6.853503199e+00 5.92 -6.853378674e+00 5.94 -6.853378674e+00 5.96 -6.853378674e+00 5.98 -6.853378674e+00 6.00 -6.853378674e+00