# 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--ipr1 # 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 6.698107973e+02 1.00 6.157139220e+02 1.02 5.663631788e+02 1.04 5.212903031e+02 1.06 4.800783057e+02 1.08 4.423559042e+02 1.10 4.077936951e+02 1.12 3.760996123e+02 1.14 3.470128617e+02 1.16 3.202985343e+02 1.18 2.957432898e+02 1.20 2.731532748e+02 1.22 2.523533067e+02 1.24 2.331862686e+02 1.26 2.155118126e+02 1.28 1.992039233e+02 1.30 1.841484807e+02 1.32 1.702416625e+02 1.34 1.573891390e+02 1.36 1.455052713e+02 1.38 1.345121249e+02 1.40 1.243382847e+02 1.42 1.149182677e+02 1.44 1.061920110e+02 1.46 9.810453435e+01 1.48 9.060612555e+01 1.50 8.365173171e+01 1.52 7.720025403e+01 1.54 7.121407329e+01 1.56 6.565817096e+01 1.58 6.050003055e+01 1.60 5.570958237e+01 1.62 5.125900044e+01 1.64 4.712283189e+01 1.66 4.327770458e+01 1.68 3.970218125e+01 1.70 3.637663905e+01 1.72 3.328296024e+01 1.74 3.040715451e+01 1.76 2.774155330e+01 1.78 2.527307340e+01 1.80 2.298885019e+01 1.82 2.087522683e+01 1.84 1.891964377e+01 1.86 1.711063892e+01 1.88 1.543767106e+01 1.90 1.389104688e+01 1.92 1.246175415e+01 1.94 1.114138648e+01 1.96 9.922067159e+00 1.98 8.796468399e+00 2.00 7.757776632e+00 2.02 6.799697443e+00 2.04 5.916427853e+00 2.06 5.102605293e+00 2.08 4.353233318e+00 2.10 3.663670483e+00 2.12 3.029575648e+00 2.14 2.446895898e+00 2.16 1.911847741e+00 2.18 1.420897661e+00 2.20 9.707987739e-01 2.22 5.585351124e-01 2.24 1.813789985e-01 2.26 -1.631789686e-01 2.28 -4.773980172e-01 2.30 -7.633539192e-01 2.32 -1.022938924e+00 2.34 -1.257910170e+00 2.36 -1.469895807e+00 2.38 -1.660428036e+00 2.40 -1.830955863e+00 2.42 -1.982857039e+00 2.44 -2.117451782e+00 2.46 -2.236098410e+00 2.48 -2.339961953e+00 2.50 -2.430095103e+00 2.52 -2.507523598e+00 2.54 -2.573262592e+00 2.56 -2.628291872e+00 2.58 -2.673571852e+00 2.60 -2.710040885e+00 2.62 -2.738606367e+00 2.64 -2.760387436e+00 2.66 -2.775943864e+00 2.68 -2.785653873e+00 2.70 -2.789876372e+00 2.72 -2.788942889e+00 2.74 -2.783150328e+00 2.76 -2.772766569e+00 2.78 -2.758039310e+00 2.80 -2.739217321e+00 2.82 -2.716552051e+00 2.84 -2.690278885e+00 2.86 -2.660627808e+00 2.88 -2.627823287e+00 2.90 -2.592087257e+00 2.92 -2.553642929e+00 2.94 -2.512718951e+00 2.96 -2.469556721e+00 2.98 -2.424414540e+00 3.00 -2.377574040e+00 3.02 -2.329341683e+00 3.04 -2.280045181e+00 3.06 -2.230026498e+00 3.08 -2.179625708e+00 3.10 -2.129162889e+00 3.12 -2.078923435e+00 3.14 -2.029141729e+00 3.16 -1.979995345e+00 3.18 -1.931604284e+00 3.20 -1.884038040e+00 3.22 -1.837324747e+00 3.24 -1.791462302e+00 3.26 -1.746434768e+00 3.28 -1.702212930e+00 3.30 -1.658765287e+00 3.32 -1.616064202e+00 3.34 -1.574087629e+00 3.36 -1.532819003e+00 3.38 -1.492244194e+00 3.40 -1.452372124e+00 3.42 -1.413199098e+00 3.44 -1.374730461e+00 3.46 -1.336976295e+00 3.48 -1.299947008e+00 3.50 -1.263653483e+00 3.52 -1.228106370e+00 3.54 -1.193313803e+00 3.56 -1.159283423e+00 3.58 -1.126018738e+00 3.60 -1.093521596e+00 3.62 -1.061790315e+00 3.64 -1.030819887e+00 3.66 -1.000603103e+00 3.68 -9.711291551e-01 3.70 -9.423852223e-01 3.72 -9.143560323e-01 3.74 -8.870237985e-01 3.76 -8.603699517e-01 3.78 -8.343743627e-01 3.80 -8.090168590e-01 3.82 -7.842755799e-01 3.84 -7.601315911e-01 3.86 -7.365631522e-01 3.88 -7.135523696e-01 3.90 -6.910805502e-01 3.92 -6.691308907e-01 3.94 -6.476878446e-01 3.96 -6.267309618e-01 3.98 -6.062575052e-01 4.00 -5.862476169e-01 4.02 -5.666881975e-01 4.04 -5.475663941e-01 4.06 -5.288704955e-01 4.08 -5.105878020e-01 4.10 -4.927071220e-01 4.12 -4.752181602e-01 4.14 -4.581115212e-01 4.16 -4.413797471e-01 4.18 -4.250175358e-01 4.20 -4.090231241e-01 4.22 -3.933965704e-01 4.24 -3.781428277e-01 4.26 -3.632697933e-01 4.28 -3.487882830e-01 4.30 -3.347119081e-01 4.32 -3.210559819e-01 4.34 -3.078360539e-01 4.36 -2.950663425e-01 4.38 -2.827586974e-01 4.40 -2.709214481e-01 4.42 -2.595572266e-01 4.44 -2.486640747e-01 4.46 -2.382341985e-01 4.48 -2.282535450e-01 4.50 -2.187038948e-01 4.52 -2.095627524e-01 4.54 -2.008044448e-01 4.56 -1.924007865e-01 4.58 -1.843226483e-01 4.60 -1.765402197e-01 4.62 -1.690243922e-01 4.64 -1.617461260e-01 4.66 -1.546783703e-01 4.68 -1.477957407e-01 4.70 -1.410746555e-01 4.72 -1.344939406e-01 4.74 -1.280353234e-01 4.76 -1.216831880e-01 4.78 -1.154250356e-01 4.80 -1.092521483e-01 4.82 -1.031595109e-01 4.84 -9.714568294e-02 4.86 -9.121355523e-02 4.88 -8.537028161e-02 4.90 -7.962648782e-02 4.92 -7.399673062e-02 4.94 -6.849875917e-02 4.96 -6.315260011e-02 4.98 -5.797959996e-02 5.00 -5.300181497e-02 5.02 -4.824067631e-02 5.04 -4.371556916e-02 5.06 -3.944335936e-02 5.08 -3.543743504e-02 5.10 -3.170686191e-02 5.12 -2.825604822e-02 5.14 -2.508518507e-02 5.16 -2.219073011e-02 5.18 -1.956494134e-02 5.20 -1.719692764e-02 5.22 -1.507309011e-02 5.24 -1.317777922e-02 5.26 -1.149444756e-02 5.28 -1.000583051e-02 5.30 -8.694565024e-03 5.32 -7.543457128e-03 5.34 -6.536089527e-03 5.36 -5.656893168e-03 5.38 -4.891400180e-03 5.40 -4.226255141e-03 5.42 -3.649323658e-03 5.44 -3.149685199e-03 5.46 -2.717505469e-03 5.48 -2.344079663e-03 5.50 -2.021692584e-03 5.52 -1.743570813e-03 5.54 -1.503753980e-03 5.56 -1.297051383e-03 5.58 -1.118949453e-03 5.60 -9.635670018e-04 5.62 -8.316444165e-04 5.64 -7.179982388e-04 5.66 -6.200890729e-04 5.68 -5.357261678e-04 5.70 -4.630210997e-04 5.72 -4.003501584e-04 5.74 -3.463090027e-04 5.76 -2.996972530e-04 5.78 -2.594794390e-04 5.80 -2.247638165e-04 5.82 -1.947874171e-04 5.84 -1.688910313e-04 5.86 -1.465105647e-04 5.88 -1.271589849e-04 5.90 -1.104195603e-04 5.92 -9.593252187e-05 5.94 -8.338815770e-05 5.96 -7.252157856e-05 5.98 -6.310324483e-05 6.00 -5.493618503e-05