# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In-N # implementation = 2009--Do-E-C--Ga-In-N--LAMMPS--ipr1 # composition = Ga2In # 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 2.128827474e+02 0.80 2.020577891e+02 0.82 1.917454893e+02 0.84 1.819225487e+02 0.86 1.725666934e+02 0.88 1.636566316e+02 0.90 1.551720108e+02 0.92 1.470933778e+02 0.94 1.394021404e+02 0.96 1.320805295e+02 0.98 1.251115646e+02 1.00 1.184790191e+02 1.02 1.121673882e+02 1.04 1.061618575e+02 1.06 1.004482731e+02 1.08 9.501311320e+01 1.10 8.984346057e+01 1.12 8.492697630e+01 1.14 8.025187470e+01 1.16 7.580689924e+01 1.18 7.158129949e+01 1.20 6.756480904e+01 1.22 6.374762440e+01 1.24 6.012038474e+01 1.26 5.667415253e+01 1.28 5.340039498e+01 1.30 5.029096632e+01 1.32 4.733809074e+01 1.34 4.453434618e+01 1.36 4.187264871e+01 1.38 3.934623767e+01 1.40 3.694866132e+01 1.42 3.467376328e+01 1.44 3.251566940e+01 1.46 3.046877524e+01 1.48 2.852773417e+01 1.50 2.668744582e+01 1.52 2.494304521e+01 1.54 2.328989223e+01 1.56 2.172356157e+01 1.58 2.023983319e+01 1.60 1.883468308e+01 1.62 1.750427453e+01 1.64 1.624494969e+01 1.66 1.505322152e+01 1.68 1.392576617e+01 1.70 1.285941556e+01 1.72 1.185115039e+01 1.74 1.089809340e+01 1.76 9.997502957e+00 1.78 9.146766898e+00 1.80 8.343396650e+00 1.82 7.585021620e+00 1.84 6.869383819e+00 1.86 6.194332731e+00 1.88 5.557820400e+00 1.90 4.957896743e+00 1.92 4.392705062e+00 1.94 3.860477761e+00 1.96 3.359532252e+00 1.98 2.888267037e+00 2.00 2.445157971e+00 2.02 2.028754690e+00 2.04 1.637677195e+00 2.06 1.270612591e+00 2.08 9.263119740e-01 2.10 6.035874506e-01 2.12 3.013092989e-01 2.14 1.840325220e-02 2.16 -2.461520937e-01 2.18 -4.933277567e-01 2.20 -7.240467322e-01 2.22 -9.391862515e-01 2.24 -1.139579936e+00 2.26 -1.326019857e+00 2.28 -1.499258497e+00 2.30 -1.660010628e+00 2.32 -1.808955098e+00 2.34 -1.946736540e+00 2.36 -2.073967005e+00 2.38 -2.191227511e+00 2.40 -2.299069535e+00 2.42 -2.398016422e+00 2.44 -2.488564737e+00 2.46 -2.571185560e+00 2.48 -2.646325705e+00 2.50 -2.714408901e+00 2.52 -2.775836904e+00 2.54 -2.830990566e+00 2.56 -2.880230851e+00 2.58 -2.923899805e+00 2.60 -2.962321479e+00 2.62 -2.995802808e+00 2.64 -3.024634455e+00 2.66 -3.049091609e+00 2.68 -3.069434746e+00 2.70 -3.085910359e+00 2.72 -3.098751649e+00 2.74 -3.108179186e+00 2.76 -3.114401537e+00 2.78 -3.117615864e+00 2.80 -3.118008500e+00 2.82 -3.115755486e+00 2.84 -3.111023096e+00 2.86 -3.103968325e+00 2.88 -3.094739364e+00 2.90 -3.083476046e+00 2.92 -3.070310275e+00 2.94 -3.055366432e+00 2.96 -3.038761763e+00 2.98 -3.020606751e+00 3.00 -3.001005468e+00 3.02 -2.980055914e+00 3.04 -2.957850335e+00 3.06 -2.934475537e+00 3.08 -2.910013173e+00 3.10 -2.884540030e+00 3.12 -2.858128297e+00 3.14 -2.830845823e+00 3.16 -2.802756362e+00 3.18 -2.773919821e+00 3.20 -2.744392480e+00 3.22 -2.714227220e+00 3.24 -2.683473736e+00 3.26 -2.652178745e+00 3.28 -2.620386190e+00 3.30 -2.588137436e+00 3.32 -2.555471462e+00 3.34 -2.522425052e+00 3.36 -2.489032981e+00 3.38 -2.455327819e+00 3.40 -2.418841410e+00 3.42 -2.355394395e+00 3.44 -2.213298946e+00 3.46 -2.008032095e+00 3.48 -1.960126093e+00 3.50 -1.923640581e+00 3.52 -1.887281786e+00 3.54 -1.851083496e+00 3.56 -1.815080140e+00 3.58 -1.779306835e+00 3.60 -1.743799411e+00 3.62 -1.708594395e+00 3.64 -1.673728976e+00 3.66 -1.639240916e+00 3.68 -1.605168436e+00 3.70 -1.571550057e+00 3.72 -1.538424397e+00 3.74 -1.505829930e+00 3.76 -1.473804705e+00 3.78 -1.442386028e+00 3.80 -1.411610111e+00 3.82 -1.381511690e+00 3.84 -1.352123635e+00 3.86 -1.323476529e+00 3.88 -1.295598266e+00 3.90 -1.268513643e+00 3.92 -1.238791183e+00 3.94 -1.162920521e+00 3.96 -9.341704607e-01 3.98 -4.587781199e-01 4.00 -1.270801877e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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