# 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 = GaIn2 # 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 3.027597687e+02 0.80 2.875436699e+02 0.82 2.730498077e+02 0.84 2.592450838e+02 0.86 2.460978763e+02 0.88 2.335779750e+02 0.90 2.216565202e+02 0.92 2.103059434e+02 0.94 1.994999110e+02 0.96 1.892132704e+02 0.98 1.794219977e+02 1.00 1.701031490e+02 1.02 1.612348125e+02 1.04 1.527960632e+02 1.06 1.447669198e+02 1.08 1.371283029e+02 1.10 1.298619954e+02 1.12 1.229506045e+02 1.14 1.163775252e+02 1.16 1.101269057e+02 1.18 1.041836138e+02 1.20 9.853320543e+01 1.22 9.316189392e+01 1.24 8.805652087e+01 1.26 8.320452828e+01 1.28 7.859393191e+01 1.30 7.421329571e+01 1.32 7.005170742e+01 1.34 6.609875524e+01 1.36 6.234450547e+01 1.38 5.877948119e+01 1.40 5.539464177e+01 1.42 5.218136343e+01 1.44 4.913142048e+01 1.46 4.623696748e+01 1.48 4.349052219e+01 1.50 4.088494921e+01 1.52 3.841344437e+01 1.54 3.606951980e+01 1.56 3.384698968e+01 1.58 3.173995658e+01 1.60 2.974279839e+01 1.62 2.785015591e+01 1.64 2.605692090e+01 1.66 2.435822466e+01 1.68 2.274942722e+01 1.70 2.122610685e+01 1.72 1.978405017e+01 1.74 1.841924264e+01 1.76 1.712785946e+01 1.78 1.590625689e+01 1.80 1.475096400e+01 1.82 1.365867470e+01 1.84 1.262624019e+01 1.86 1.165066172e+01 1.88 1.072908372e+01 1.90 9.858787126e+00 1.92 9.037183160e+00 1.94 8.261807252e+00 1.96 7.530313306e+00 1.98 6.840468212e+00 2.00 6.190146594e+00 2.02 5.577325804e+00 2.04 5.000081137e+00 2.06 4.456581261e+00 2.08 3.945083861e+00 2.10 3.463931471e+00 2.12 3.011547497e+00 2.14 2.586432426e+00 2.16 2.187160201e+00 2.18 1.812374762e+00 2.20 1.460786746e+00 2.22 1.131170335e+00 2.24 8.223602524e-01 2.26 5.332488893e-01 2.28 2.627835695e-01 2.30 9.963935234e-03 2.32 -2.261605454e-01 2.34 -4.464929573e-01 2.36 -6.518912075e-01 2.38 -8.431701896e-01 2.40 -1.021103849e+00 2.42 -1.186427153e+00 2.44 -1.339837967e+00 2.46 -1.481998850e+00 2.48 -1.613538760e+00 2.50 -1.735054684e+00 2.52 -1.847113191e+00 2.54 -1.950251914e+00 2.56 -2.044980964e+00 2.58 -2.131784269e+00 2.60 -2.211120865e+00 2.62 -2.283426115e+00 2.64 -2.349112874e+00 2.66 -2.408572601e+00 2.68 -2.462176417e+00 2.70 -2.510276113e+00 2.72 -2.553205111e+00 2.74 -2.591279379e+00 2.76 -2.624798301e+00 2.78 -2.654045511e+00 2.80 -2.679289679e+00 2.82 -2.700785265e+00 2.84 -2.718773237e+00 2.86 -2.733481751e+00 2.88 -2.745126802e+00 2.90 -2.753912837e+00 2.92 -2.760033350e+00 2.94 -2.763671433e+00 2.96 -2.765000310e+00 2.98 -2.764183845e+00 3.00 -2.761377018e+00 3.02 -2.756726379e+00 3.04 -2.750370489e+00 3.06 -2.742440321e+00 3.08 -2.733059654e+00 3.10 -2.722345445e+00 3.12 -2.710408173e+00 3.14 -2.697352174e+00 3.16 -2.683275952e+00 3.18 -2.668272476e+00 3.20 -2.652429459e+00 3.22 -2.635829616e+00 3.24 -2.618550918e+00 3.26 -2.600666816e+00 3.28 -2.582246461e+00 3.30 -2.563354906e+00 3.32 -2.544053292e+00 3.34 -2.524399018e+00 3.36 -2.504445906e+00 3.38 -2.484243952e+00 3.40 -2.461310674e+00 3.42 -2.411693582e+00 3.44 -2.286400017e+00 3.46 -2.108110367e+00 3.48 -2.081136571e+00 3.50 -2.064944934e+00 3.52 -2.048536138e+00 3.54 -2.031902892e+00 3.56 -2.015038620e+00 3.58 -1.997938138e+00 3.60 -1.980598299e+00 3.62 -1.963018558e+00 3.64 -1.945201419e+00 3.66 -1.927152730e+00 3.68 -1.908881806e+00 3.70 -1.890401364e+00 3.72 -1.871727282e+00 3.74 -1.852878185e+00 3.76 -1.833874920e+00 3.78 -1.814739925e+00 3.80 -1.795496576e+00 3.82 -1.776168531e+00 3.84 -1.756779128e+00 3.86 -1.737350875e+00 3.88 -1.717905030e+00 3.90 -1.698461324e+00 3.92 -1.675302345e+00 3.94 -1.600186299e+00 3.96 -1.343798369e+00 3.98 -7.362338342e-01 4.00 -2.191258770e-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