# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Nord-J-Kuronen-A--Ga-As # implementation = 2002--Albe-K--Ga-As--LAMMPS--ipr1 # composition = As2Ga # 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 4.048313695e+03 0.74 3.664667852e+03 0.76 3.332585929e+03 0.78 3.036536927e+03 0.80 2.772547567e+03 0.82 2.537957391e+03 0.84 2.328212510e+03 0.86 2.142395238e+03 0.88 1.965622680e+03 0.90 1.795120796e+03 0.92 1.636601458e+03 0.94 1.496678331e+03 0.96 1.379866891e+03 0.98 1.280788679e+03 1.00 1.182382129e+03 1.02 1.084258012e+03 1.04 9.902889988e+02 1.06 9.047878095e+02 1.08 8.314483903e+02 1.10 7.722627596e+02 1.12 7.217792014e+02 1.14 6.748641677e+02 1.16 6.308024888e+02 1.18 5.863572677e+02 1.20 5.416585846e+02 1.22 4.978688014e+02 1.24 4.559877580e+02 1.26 4.172710247e+02 1.28 3.830416499e+02 1.30 3.543318097e+02 1.32 3.311180990e+02 1.34 3.102723429e+02 1.36 2.909628872e+02 1.38 2.729556626e+02 1.40 2.561423608e+02 1.42 2.403835731e+02 1.44 2.256047347e+02 1.46 2.117502875e+02 1.48 1.987667723e+02 1.50 1.866021112e+02 1.52 1.751230189e+02 1.54 1.628848041e+02 1.56 1.496761288e+02 1.58 1.358972851e+02 1.60 1.219487935e+02 1.62 1.082153721e+02 1.64 9.510040407e+01 1.66 8.306805109e+01 1.68 7.263899598e+01 1.70 6.433728396e+01 1.72 5.852333753e+01 1.74 5.437447802e+01 1.76 5.042605412e+01 1.78 4.669360402e+01 1.80 4.321837251e+01 1.82 4.001715143e+01 1.84 3.708431690e+01 1.86 3.439822905e+01 1.88 3.192398345e+01 1.90 2.962672788e+01 1.92 2.747731427e+01 1.94 2.546126874e+01 1.96 2.357078642e+01 1.98 2.177949552e+01 2.00 2.007023001e+01 2.02 1.844707792e+01 2.04 1.691382035e+01 2.06 1.547340913e+01 2.08 1.412758726e+01 2.10 1.287665112e+01 2.12 1.171934923e+01 2.14 1.065290761e+01 2.16 9.673166776e+00 2.18 8.774809946e+00 2.20 7.951656384e+00 2.22 7.193077228e+00 2.24 6.485331579e+00 2.26 5.825089215e+00 2.28 5.209553635e+00 2.30 4.636083129e+00 2.32 4.102182470e+00 2.34 3.605495049e+00 2.36 3.143795423e+00 2.38 2.714982255e+00 2.40 2.317071640e+00 2.42 1.948190768e+00 2.44 1.606571936e+00 2.46 1.290546872e+00 2.48 9.985413571e-01 2.50 7.290701405e-01 2.52 4.807321164e-01 2.54 2.522057619e-01 2.56 4.224481498e-02 2.58 -1.503258172e-01 2.60 -3.266139331e-01 2.62 -4.876637051e-01 2.64 -6.344591531e-01 2.66 -7.679274329e-01 2.68 -8.889419499e-01 2.70 -9.983253062e-01 2.72 -1.096852091e+00 2.74 -1.185251524e+00 2.76 -1.264209951e+00 2.78 -1.335884584e+00 2.80 -1.411768418e+00 2.82 -1.492427374e+00 2.84 -1.575997315e+00 2.86 -1.660812030e+00 2.88 -1.745323053e+00 2.90 -1.828003350e+00 2.92 -1.905589553e+00 2.94 -1.969542272e+00 2.96 -2.010319439e+00 2.98 -2.019011575e+00 3.00 -1.988373552e+00 3.02 -1.914020051e+00 3.04 -1.795671112e+00 3.06 -1.638158396e+00 3.08 -1.451683382e+00 3.10 -1.250733982e+00 3.12 -1.051368543e+00 3.14 -8.593198125e-01 3.16 -6.761966128e-01 3.18 -5.071430494e-01 3.20 -3.569705947e-01 3.22 -2.298644969e-01 3.24 -1.291079212e-01 3.26 -5.685375562e-02 3.28 -1.397273854e-02 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 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