# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = InN2 # 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 4.901612124e+03 1.16 4.308678069e+03 1.18 3.802562281e+03 1.20 3.360794898e+03 1.22 2.966154443e+03 1.24 2.609016945e+03 1.26 2.294009912e+03 1.28 2.025298597e+03 1.30 1.794255149e+03 1.32 1.591585919e+03 1.34 1.412244858e+03 1.36 1.252710678e+03 1.38 1.110218789e+03 1.40 9.837466024e+02 1.42 8.730539783e+02 1.44 7.765244248e+02 1.46 6.918101387e+02 1.48 6.171167432e+02 1.50 5.511570423e+02 1.52 4.928599448e+02 1.54 4.412538752e+02 1.56 3.953426901e+02 1.58 3.541006419e+02 1.60 3.169138807e+02 1.62 2.838971452e+02 1.64 2.551869080e+02 1.66 2.302427525e+02 1.68 2.082286799e+02 1.70 1.885414913e+02 1.72 1.708284365e+02 1.74 1.548469613e+02 1.76 1.403994149e+02 1.78 1.273166045e+02 1.80 1.154524094e+02 1.82 1.046798942e+02 1.84 9.488771846e+01 1.86 8.597337008e+01 1.88 7.782555914e+01 1.90 7.029019393e+01 1.92 6.315636682e+01 1.94 5.625169748e+01 1.96 4.963110538e+01 1.98 4.360437568e+01 2.00 3.845908661e+01 2.02 3.419777486e+01 2.04 3.059946366e+01 2.06 2.743729467e+01 2.08 2.457911929e+01 2.10 2.196391245e+01 2.12 1.956021285e+01 2.14 1.734827329e+01 2.16 1.531657615e+01 2.18 1.346011757e+01 2.20 1.177683921e+01 2.22 1.026267117e+01 2.24 8.908243216e+00 2.26 7.698894468e+00 2.28 6.617316766e+00 2.30 5.646731841e+00 2.32 4.772889586e+00 2.34 3.984499440e+00 2.36 3.272728576e+00 2.38 2.630322579e+00 2.40 2.051187512e+00 2.42 1.529917004e+00 2.44 1.061652859e+00 2.46 6.420005505e-01 2.48 2.669720271e-01 2.50 -6.705446561e-02 2.52 -3.633730790e-01 2.54 -6.249859985e-01 2.56 -8.546378877e-01 2.58 -1.054853511e+00 2.60 -1.227993375e+00 2.62 -1.376366867e+00 2.64 -1.502468256e+00 2.66 -1.609363437e+00 2.68 -1.701067493e+00 2.70 -1.782343343e+00 2.72 -1.857368685e+00 2.74 -1.927394588e+00 2.76 -1.989012297e+00 2.78 -2.035058232e+00 2.80 -2.058349185e+00 2.82 -2.055737088e+00 2.84 -2.029494494e+00 2.86 -1.985474535e+00 2.88 -1.930059039e+00 2.90 -1.868108369e+00 2.92 -1.802541215e+00 2.94 -1.734870340e+00 2.96 -1.665870758e+00 2.98 -1.596013374e+00 3.00 -1.525660302e+00 3.02 -1.455133336e+00 3.04 -1.384733994e+00 3.06 -1.314745320e+00 3.08 -1.245433083e+00 3.10 -1.177045383e+00 3.12 -1.109812343e+00 3.14 -1.043945809e+00 3.16 -9.796391149e-01 3.18 -9.170668890e-01 3.20 -8.563849180e-01 3.22 -7.977300825e-01 3.24 -7.412203646e-01 3.26 -6.869515531e-01 3.28 -6.350123118e-01 3.30 -5.854599122e-01 3.32 -5.383390424e-01 3.34 -4.936770790e-01 3.36 -4.514847912e-01 3.38 -4.117571554e-01 3.40 -3.744742805e-01 3.42 -3.396024187e-01 3.44 -3.070950942e-01 3.46 -2.768942772e-01 3.48 -2.489316319e-01 3.50 -2.231298039e-01 3.52 -1.994037304e-01 3.54 -1.776619544e-01 3.56 -1.578079269e-01 3.58 -1.397412787e-01 3.60 -1.233590455e-01 3.62 -1.085568304e-01 3.64 -9.522989398e-02 3.66 -8.327415816e-02 3.68 -7.258711475e-02 3.70 -6.306863654e-02 3.72 -5.462168111e-02 3.74 -4.715289085e-02 3.76 -4.057308514e-02 3.78 -3.479765021e-02 3.80 -2.974682937e-02 3.82 -2.534591870e-02 3.84 -2.152537723e-02 3.86 -1.822085649e-02 3.88 -1.537316107e-02 3.90 -1.292814678e-02 3.92 -1.083656711e-02 3.94 -9.053876428e-03 3.96 -7.539998954e-03 3.98 -6.259071882e-03 4.00 -5.179170548e-03 4.02 -4.272022439e-03 4.04 -3.512716816e-03 4.06 -2.879415009e-03 4.08 -2.353066274e-03 4.10 -1.917133091e-03 4.12 -1.557328785e-03 4.14 -1.261369835e-03 4.16 -1.018744615e-03 4.18 -8.204994393e-04 4.20 -6.586704308e-04 4.22 -5.277102403e-04 4.24 -4.217092931e-04 4.26 -3.361726693e-04 4.28 -2.673544604e-04 4.30 -2.121462738e-04 4.32 -1.679795138e-04 4.34 -1.327403333e-04 4.36 -1.046960902e-04 4.38 -8.243214805e-05 4.40 -6.479790624e-05 4.42 -5.086098011e-05 4.44 -3.986852540e-05 4.46 -3.121476798e-05 4.48 -2.441390446e-05 4.50 -9.169455563e-06 4.52 -6.819334592e-06 4.54 -5.051645274e-06 4.56 -3.727473970e-06 4.58 -2.739591802e-06 4.60 -2.005606116e-06 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