# 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 = GaIn2 # 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 2024-11-27 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 2.784865157e+02 1.16 2.595837240e+02 1.18 2.420641188e+02 1.20 2.258110849e+02 1.22 2.107203355e+02 1.24 1.966982077e+02 1.26 1.836601009e+02 1.28 1.715292003e+02 1.30 1.602354720e+02 1.32 1.497149030e+02 1.34 1.399089305e+02 1.36 1.307638927e+02 1.38 1.222305312e+02 1.40 1.142635498e+02 1.42 1.068211629e+02 1.44 9.986484608e+01 1.46 9.335911729e+01 1.48 8.727151308e+01 1.50 8.157252279e+01 1.52 7.623552346e+01 1.54 7.123658772e+01 1.56 6.655416414e+01 1.58 6.216867920e+01 1.60 5.806204946e+01 1.62 5.421729889e+01 1.64 5.061820461e+01 1.66 4.724910561e+01 1.68 4.409485788e+01 1.70 4.114089495e+01 1.72 3.837334847e+01 1.74 3.577919695e+01 1.76 3.334638737e+01 1.78 3.106389050e+01 1.80 2.892169396e+01 1.82 2.691072135e+01 1.84 2.502272767e+01 1.86 2.325014864e+01 1.88 2.158596714e+01 1.90 2.002359027e+01 1.92 1.855676927e+01 1.94 1.717953470e+01 1.96 1.588617374e+01 1.98 1.467123112e+01 2.00 1.352951864e+01 2.02 1.245615148e+01 2.04 1.144657379e+01 2.06 1.049658077e+01 2.08 9.602337739e+00 2.10 8.760386152e+00 2.12 7.967632528e+00 2.14 7.221335026e+00 2.16 6.519063668e+00 2.18 5.858669058e+00 2.20 5.238232146e+00 2.22 4.656020201e+00 2.24 4.110442427e+00 2.26 3.600011424e+00 2.28 3.123303230e+00 2.30 2.678941599e+00 2.32 2.265569888e+00 2.34 1.881841179e+00 2.36 1.526411134e+00 2.38 1.197935408e+00 2.40 8.950705086e-01 2.42 6.164785141e-01 2.44 3.608238330e-01 2.46 1.267916960e-01 2.48 -8.691653744e-02 2.50 -2.815745705e-01 2.52 -4.584255667e-01 2.54 -6.186768076e-01 2.56 -7.634947009e-01 2.58 -8.940002227e-01 2.60 -1.011264945e+00 2.62 -1.116307604e+00 2.64 -1.210092700e+00 2.66 -1.293526109e+00 2.68 -1.367462018e+00 2.70 -1.432692238e+00 2.72 -1.489959386e+00 2.74 -1.539950534e+00 2.76 -1.583305312e+00 2.78 -1.620617778e+00 2.80 -1.652439987e+00 2.82 -1.679285482e+00 2.84 -1.701632378e+00 2.86 -1.719926040e+00 2.88 -1.734581170e+00 2.90 -1.745983316e+00 2.92 -1.754489856e+00 2.94 -1.760430540e+00 2.96 -1.764107274e+00 2.98 -1.765796362e+00 3.00 -1.765745095e+00 3.02 -1.764174764e+00 3.04 -1.761280430e+00 3.06 -1.757231827e+00 3.08 -1.752174614e+00 3.10 -1.746231926e+00 3.12 -1.739506244e+00 3.14 -1.732081408e+00 3.16 -1.724024788e+00 3.18 -1.715389424e+00 3.20 -1.706216159e+00 3.22 -1.696535611e+00 3.24 -1.686369988e+00 3.26 -1.675734703e+00 3.28 -1.664639786e+00 3.30 -1.653091090e+00 3.32 -1.641091318e+00 3.34 -1.628640893e+00 3.36 -1.615738669e+00 3.38 -1.602382560e+00 3.40 -1.588570050e+00 3.42 -1.574298043e+00 3.44 -1.559565906e+00 3.46 -1.544371379e+00 3.48 -1.528714165e+00 3.50 -1.512595204e+00 3.52 -1.496016868e+00 3.54 -1.478982062e+00 3.56 -1.461498856e+00 3.58 -1.443572979e+00 3.60 -1.425213542e+00 3.62 -1.406431353e+00 3.64 -1.387238872e+00 3.66 -1.367650151e+00 3.68 -1.347680740e+00 3.70 -1.327347122e+00 3.72 -1.306668738e+00 3.74 -1.285664296e+00 3.76 -1.264354395e+00 3.78 -1.242760627e+00 3.80 -1.220905475e+00 3.82 -1.198812235e+00 3.84 -1.176504932e+00 3.86 -1.154008237e+00 3.88 -1.131347403e+00 3.90 -1.108548177e+00 3.92 -1.085636737e+00 3.94 -1.062639610e+00 3.96 -1.039583585e+00 3.98 -1.016495636e+00 4.00 -9.934028097e-01 4.02 -9.703321433e-01 4.04 -9.473105427e-01 4.06 -9.243646609e-01 4.08 -9.015207791e-01 4.10 -8.788046754e-01 4.12 -8.562414941e-01 4.14 -8.338555909e-01 4.16 -8.116704163e-01 4.18 -7.897083599e-01 4.20 -7.679898892e-01 4.22 -7.465366276e-01 4.24 -7.253659955e-01 4.26 -7.044949681e-01 4.28 -6.839388814e-01 4.30 -6.637113878e-01 4.32 -6.438243844e-01 4.34 -6.242879799e-01 4.36 -6.051104872e-01 4.38 -5.862984226e-01 4.40 -5.678565388e-01 4.42 -5.497878642e-01 4.44 -5.320937844e-01 4.46 -5.147741179e-01 4.48 -4.978272320e-01 4.50 -4.812501627e-01 4.52 -4.650387468e-01 4.54 -4.491877813e-01 4.56 -4.336911680e-01 4.58 -4.185420916e-01 4.60 -4.037331800e-01 4.62 -3.892566654e-01 4.64 -3.751045717e-01 4.66 -3.612688496e-01 4.68 -3.477415519e-01 4.70 -3.345149649e-01 4.72 -3.215817369e-01 4.74 -3.089350041e-01 4.76 -2.965684799e-01 4.78 -2.844765440e-01 4.80 -2.726542986e-01 4.82 -2.610976231e-01 4.84 -2.498031921e-01 4.86 -2.387684853e-01 4.88 -2.279917752e-01 4.90 -2.174720989e-01 4.92 -2.072092127e-01 4.94 -1.972035314e-01 4.96 -1.874560574e-01 4.98 -1.779682950e-01 5.00 -1.687421588e-01 5.02 -1.597798735e-01 5.04 -1.510838698e-01 5.06 -1.426566780e-01 5.08 -1.345008200e-01 5.10 -1.266187054e-01 5.12 -1.190125295e-01 5.14 -1.116841779e-01 5.16 -1.046351376e-01 5.18 -9.786641708e-02 5.20 -9.137847707e-02 5.22 -8.517116944e-02 5.24 -7.924369057e-02 5.26 -7.359454413e-02 5.28 -6.822151702e-02 5.30 -6.312166707e-02 5.32 -5.829132141e-02 5.34 -5.372608724e-02 5.36 -4.942087257e-02 5.38 -4.536991556e-02 5.40 -4.156682437e-02 5.42 -3.800462286e-02 5.44 -3.467580387e-02 5.46 -3.157238727e-02 5.48 -2.868598200e-02 5.50 -2.600785048e-02 5.52 -2.352897667e-02 5.54 -2.124013200e-02 5.56 -1.913194269e-02 5.58 -1.719495477e-02 5.60 -1.541969714e-02 5.62 -1.379674125e-02 5.64 -1.231675722e-02 5.66 -1.097056555e-02 5.68 -9.749184211e-03 5.70 -8.643870600e-03 5.72 -7.646158411e-03 5.74 -6.747889215e-03 5.76 -5.941238548e-03 5.78 -5.218737025e-03 5.80 -4.573286333e-03 5.82 -3.998170410e-03 5.84 -3.487062093e-03 5.86 -3.034025687e-03 5.88 -2.633515610e-03 5.90 -2.280371744e-03 5.92 -1.969329567e-03 5.94 -1.697049733e-03 5.96 -1.458853249e-03 5.98 -1.251025703e-03 6.00 -1.070176171e-03