# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2 # composition = Ag2Au # 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 6.698087954e+02 1.00 6.157120290e+02 1.02 5.663616156e+02 1.04 5.212889072e+02 1.06 4.800770053e+02 1.08 4.423546394e+02 1.10 4.077924870e+02 1.12 3.760985062e+02 1.14 3.470119235e+02 1.16 3.202977396e+02 1.18 2.957426164e+02 1.20 2.731526639e+02 1.22 2.523527062e+02 1.24 2.331857188e+02 1.26 2.155113271e+02 1.28 1.992034601e+02 1.30 1.841480204e+02 1.32 1.702412484e+02 1.34 1.573887877e+02 1.36 1.455049669e+02 1.38 1.345118162e+02 1.40 1.243380091e+02 1.42 1.149180343e+02 1.44 1.061917837e+02 1.46 9.810437301e+01 1.48 9.060600402e+01 1.50 8.365160468e+01 1.52 7.720016825e+01 1.54 7.121399058e+01 1.56 6.565810141e+01 1.58 6.049999152e+01 1.60 5.570954572e+01 1.62 5.125899390e+01 1.64 4.712283722e+01 1.66 4.327771285e+01 1.68 3.970221461e+01 1.70 3.637668956e+01 1.72 3.328302473e+01 1.74 3.040719190e+01 1.76 2.774154113e+01 1.78 2.527305843e+01 1.80 2.298883843e+01 1.82 2.087521319e+01 1.84 1.891963749e+01 1.86 1.711062891e+01 1.88 1.543766423e+01 1.90 1.389103956e+01 1.92 1.246174948e+01 1.94 1.114138186e+01 1.96 9.922067292e+00 1.98 8.796467439e+00 2.00 7.757772685e+00 2.02 6.799694580e+00 2.04 5.916427792e+00 2.06 5.102601858e+00 2.08 4.353230274e+00 2.10 3.663666946e+00 2.12 3.029573024e+00 2.14 2.446893550e+00 2.16 1.911844020e+00 2.18 1.420898186e+00 2.20 9.707955745e-01 2.22 5.585357615e-01 2.24 1.813764081e-01 2.26 -1.631785046e-01 2.28 -4.773988083e-01 2.30 -7.633519010e-01 2.32 -1.022939421e+00 2.34 -1.257910370e+00 2.36 -1.469896053e+00 2.38 -1.660428247e+00 2.40 -1.830955874e+00 2.42 -1.982857336e+00 2.44 -2.117451614e+00 2.46 -2.236098552e+00 2.48 -2.339962403e+00 2.50 -2.430094783e+00 2.52 -2.507524077e+00 2.54 -2.573262546e+00 2.56 -2.628292090e+00 2.58 -2.673571918e+00 2.60 -2.710040599e+00 2.62 -2.738606665e+00 2.64 -2.760387299e+00 2.66 -2.775944195e+00 2.68 -2.785653584e+00 2.70 -2.789876267e+00 2.72 -2.788942876e+00 2.74 -2.783150443e+00 2.76 -2.772766648e+00 2.78 -2.758039103e+00 2.80 -2.739217136e+00 2.82 -2.716551814e+00 2.84 -2.690278808e+00 2.86 -2.660627782e+00 2.88 -2.627823236e+00 2.90 -2.592087186e+00 2.92 -2.553642741e+00 2.94 -2.512718922e+00 2.96 -2.469556535e+00 2.98 -2.424414302e+00 3.00 -2.377573809e+00 3.02 -2.329341421e+00 3.04 -2.280045341e+00 3.06 -2.230026785e+00 3.08 -2.179625681e+00 3.10 -2.129163051e+00 3.12 -2.078923545e+00 3.14 -2.029141807e+00 3.16 -1.979995275e+00 3.18 -1.931604217e+00 3.20 -1.884037925e+00 3.22 -1.837324827e+00 3.24 -1.791462387e+00 3.26 -1.746435173e+00 3.28 -1.702212863e+00 3.30 -1.658765114e+00 3.32 -1.616064119e+00 3.34 -1.574087369e+00 3.36 -1.532818939e+00 3.38 -1.492244102e+00 3.40 -1.452372319e+00 3.42 -1.413198980e+00 3.44 -1.374730577e+00 3.46 -1.336976338e+00 3.48 -1.299946953e+00 3.50 -1.263653427e+00 3.52 -1.228106089e+00 3.54 -1.193313788e+00 3.56 -1.159283273e+00 3.58 -1.126018751e+00 3.60 -1.093521592e+00 3.62 -1.061790177e+00 3.64 -1.030819855e+00 3.66 -1.000602999e+00 3.68 -9.711291507e-01 3.70 -9.423852419e-01 3.72 -9.143558890e-01 3.74 -8.870237503e-01 3.76 -8.603699358e-01 3.78 -8.343744551e-01 3.80 -8.090166822e-01 3.82 -7.842758111e-01 3.84 -7.601312761e-01 3.86 -7.365631079e-01 3.88 -7.135522044e-01 3.90 -6.910805000e-01 3.92 -6.691310301e-01 3.94 -6.476878990e-01 3.96 -6.267309890e-01 3.98 -6.062574740e-01 4.00 -5.862475163e-01 4.02 -5.666880854e-01 4.04 -5.475664935e-01 4.06 -5.288703682e-01 4.08 -5.105877271e-01 4.10 -4.927071664e-01 4.12 -4.752181647e-01 4.14 -4.581114913e-01 4.16 -4.413796939e-01 4.18 -4.250176248e-01 4.20 -4.090229490e-01 4.22 -3.933965637e-01 4.24 -3.781428516e-01 4.26 -3.632696882e-01 4.28 -3.487881407e-01 4.30 -3.347118236e-01 4.32 -3.210559196e-01 4.34 -3.078359255e-01 4.36 -2.950662336e-01 4.38 -2.827586940e-01 4.40 -2.709213169e-01 4.42 -2.595572570e-01 4.44 -2.486641828e-01 4.46 -2.382340734e-01 4.48 -2.282534277e-01 4.50 -2.187038172e-01 4.52 -2.095626857e-01 4.54 -2.008042857e-01 4.56 -1.924006507e-01 4.58 -1.843225262e-01 4.60 -1.765402051e-01 4.62 -1.690242431e-01 4.64 -1.617460516e-01 4.66 -1.546783795e-01 4.68 -1.477957079e-01 4.70 -1.410745831e-01 4.72 -1.344939123e-01 4.74 -1.280352437e-01 4.76 -1.216830428e-01 4.78 -1.154249708e-01 4.80 -1.092521577e-01 4.82 -1.031594571e-01 4.84 -9.714565584e-02 4.86 -9.121360614e-02 4.88 -8.537024398e-02 4.90 -7.962645514e-02 4.92 -7.399675822e-02 4.94 -6.849878537e-02 4.96 -6.315256014e-02 4.98 -5.797959498e-02 5.00 -5.300185343e-02 5.02 -4.824064438e-02 5.04 -4.371553321e-02 5.06 -3.944335159e-02 5.08 -3.543738501e-02 5.10 -3.170679746e-02 5.12 -2.825601682e-02 5.14 -2.508523092e-02 5.16 -2.219075130e-02 5.18 -1.956497649e-02 5.20 -1.719699059e-02 5.22 -1.507311322e-02 5.24 -1.317780176e-02 5.26 -1.149447963e-02 5.28 -1.000587581e-02 5.30 -8.694575108e-03 5.32 -7.543467805e-03 5.34 -6.536095895e-03 5.36 -5.656902878e-03 5.38 -4.891398443e-03 5.40 -4.226251678e-03 5.42 -3.649326878e-03 5.44 -3.149675317e-03 5.46 -2.717494879e-03 5.48 -2.344067637e-03 5.50 -2.021683611e-03 5.52 -1.743557131e-03 5.54 -1.503740685e-03 5.56 -1.297039768e-03 5.58 -1.118931161e-03 5.60 -9.635504824e-04 5.62 -8.316274356e-04 5.64 -7.179808955e-04 5.66 -6.200715522e-04 5.68 -5.357085779e-04 5.70 -4.630037214e-04 5.72 -4.003308452e-04 5.74 -3.462904358e-04 5.76 -2.996786055e-04 5.78 -2.594601133e-04 5.80 -2.247449501e-04 5.82 -1.947680673e-04 5.84 -1.688718619e-04 5.86 -1.464910687e-04 5.88 -1.271397460e-04 5.90 -1.104000786e-04 5.92 -9.591275149e-05 5.94 -8.336868089e-05 5.96 -7.250191452e-05 5.98 -6.308353826e-05 6.00 -5.491644835e-05