# 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 = GaN2 # 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 7.103091677e+02 1.16 6.348735720e+02 1.18 5.675077422e+02 1.20 5.069949620e+02 1.22 4.523998999e+02 1.24 4.030885747e+02 1.26 3.588532032e+02 1.28 3.195000104e+02 1.30 2.845387588e+02 1.32 2.534892913e+02 1.34 2.259828749e+02 1.36 2.016772321e+02 1.38 1.802413480e+02 1.40 1.613892596e+02 1.42 1.448622370e+02 1.44 1.303793143e+02 1.46 1.176577897e+02 1.48 1.064490013e+02 1.50 9.653962489e+01 1.52 8.774354109e+01 1.54 7.989870275e+01 1.56 7.286254434e+01 1.58 6.651097119e+01 1.60 6.074853413e+01 1.62 5.551455311e+01 1.64 5.076122610e+01 1.66 4.643173649e+01 1.68 4.246836034e+01 1.70 3.882551707e+01 1.72 3.546928113e+01 1.74 3.237260319e+01 1.76 2.951272730e+01 1.78 2.686994999e+01 1.80 2.442715417e+01 1.82 2.216913531e+01 1.84 2.008222246e+01 1.86 1.815385300e+01 1.88 1.637189770e+01 1.90 1.472357446e+01 1.92 1.319495239e+01 1.94 1.177368517e+01 1.96 1.045439242e+01 1.98 9.239667689e+00 2.00 8.131749521e+00 2.02 7.125150328e+00 2.04 6.208331911e+00 2.06 5.370002036e+00 2.08 4.601979766e+00 2.10 3.898525142e+00 2.12 3.255010746e+00 2.14 2.667310103e+00 2.16 2.131596354e+00 2.18 1.644293375e+00 2.20 1.202046702e+00 2.22 8.017185119e-01 2.24 4.403785408e-01 2.26 1.152764441e-01 2.28 -1.762023483e-01 2.30 -4.365737118e-01 2.32 -6.682363567e-01 2.34 -8.735666041e-01 2.36 -1.054709825e+00 2.38 -1.213702985e+00 2.40 -1.352436186e+00 2.42 -1.472657867e+00 2.44 -1.575980503e+00 2.46 -1.663885613e+00 2.48 -1.737728755e+00 2.50 -1.798745255e+00 2.52 -1.848056864e+00 2.54 -1.886679299e+00 2.56 -1.915530523e+00 2.58 -1.935439608e+00 2.60 -1.947156245e+00 2.62 -1.951361193e+00 2.64 -1.948679842e+00 2.66 -1.939692437e+00 2.68 -1.924958166e+00 2.70 -1.904998219e+00 2.72 -1.880292298e+00 2.74 -1.851246628e+00 2.76 -1.818182610e+00 2.78 -1.781367578e+00 2.80 -1.741078577e+00 2.82 -1.697655263e+00 2.84 -1.651504540e+00 2.86 -1.603062324e+00 2.88 -1.552748104e+00 2.90 -1.500940344e+00 2.92 -1.447974741e+00 2.94 -1.394152645e+00 2.96 -1.339748898e+00 2.98 -1.285015843e+00 3.00 -1.230184602e+00 3.02 -1.175465440e+00 3.04 -1.121048249e+00 3.06 -1.067103505e+00 3.08 -1.013783724e+00 3.10 -9.612252933e-01 3.12 -9.095505249e-01 3.14 -8.588697485e-01 3.16 -8.092832863e-01 3.18 -7.608831831e-01 3.20 -7.137545776e-01 3.22 -6.679766730e-01 3.24 -6.236232683e-01 3.26 -5.807594901e-01 3.28 -5.394564303e-01 3.30 -4.997660500e-01 3.32 -4.617388526e-01 3.34 -4.254177938e-01 3.36 -3.908374893e-01 3.38 -3.580234819e-01 3.40 -3.269916381e-01 3.42 -2.977477072e-01 3.44 -2.702871200e-01 3.46 -2.445949841e-01 3.48 -2.206463165e-01 3.50 -1.984064918e-01 3.52 -1.778318760e-01 3.54 -1.588706249e-01 3.56 -1.414636116e-01 3.58 -1.255454487e-01 3.60 -1.110455695e-01 3.62 -9.788933595e-02 3.64 -8.599914316e-02 3.66 -7.529549351e-02 3.68 -6.569801542e-02 3.70 -5.712592861e-02 3.72 -4.950104666e-02 3.74 -4.274494468e-02 3.76 -3.678236818e-02 3.78 -3.154097550e-02 3.80 -2.695179611e-02 3.82 -2.294958434e-02 3.84 -1.947307652e-02 3.86 -1.646515575e-02 3.88 -1.387293516e-02 3.90 -1.164776753e-02 3.92 -9.745191214e-03 3.94 -8.124822202e-03 3.96 -6.750201793e-03 3.98 -5.588609152e-03 4.00 -4.610847483e-03 4.02 -3.791011503e-03 4.04 -3.106243746e-03 4.06 -2.536485639e-03 4.08 -2.064228829e-03 4.10 -1.674271404e-03 4.12 -1.353482397e-03 4.14 -1.090577525e-03 4.16 -8.759082954e-04 4.18 -7.012658098e-04 4.20 -5.597001533e-04 4.22 -4.453557341e-04 4.24 -3.533224961e-04 4.26 -2.795025891e-04 4.28 -2.204918921e-04 4.30 -1.734755145e-04 4.32 -1.361362962e-04 4.34 -1.065752783e-04 4.36 -8.324303231e-05 4.38 -6.488075964e-05 4.40 -5.047009703e-05 4.42 -3.919060786e-05 4.44 -2.177300297e-05 4.46 -1.638438304e-05 4.48 -1.228115020e-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