# 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 = Ga2In # 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 2.864233495e+02 1.16 2.664500852e+02 1.18 2.479678481e+02 1.20 2.308472254e+02 1.22 2.149744592e+02 1.24 2.002486383e+02 1.26 1.865789056e+02 1.28 1.738823790e+02 1.30 1.620828030e+02 1.32 1.511098412e+02 1.34 1.408986649e+02 1.36 1.313896820e+02 1.38 1.225283169e+02 1.40 1.142648398e+02 1.42 1.065541412e+02 1.44 9.935556071e+01 1.46 9.263256991e+01 1.48 8.635242777e+01 1.50 8.048575095e+01 1.52 7.500602288e+01 1.54 6.988907987e+01 1.56 6.511259759e+01 1.58 6.065563512e+01 1.60 5.649820837e+01 1.62 5.262103907e+01 1.64 4.900537097e+01 1.66 4.563296119e+01 1.68 4.248616362e+01 1.70 3.954811798e+01 1.72 3.680291995e+01 1.74 3.423578678e+01 1.76 3.183315696e+01 1.78 2.958270442e+01 1.80 2.747330295e+01 1.82 2.549492540e+01 1.84 2.363854062e+01 1.86 2.189599830e+01 1.88 2.025992799e+01 1.90 1.872365128e+01 1.92 1.728110087e+01 1.94 1.592673623e+01 1.96 1.465546306e+01 1.98 1.346255275e+01 2.00 1.234357105e+01 2.02 1.129431606e+01 2.04 1.031078979e+01 2.06 9.389176466e+00 2.08 8.525848591e+00 2.10 7.717383068e+00 2.12 6.960578550e+00 2.14 6.252474583e+00 2.16 5.590345718e+00 2.18 4.971706605e+00 2.20 4.394278829e+00 2.22 3.855963358e+00 2.24 3.354803865e+00 2.26 2.888951577e+00 2.28 2.456627040e+00 2.30 2.056106591e+00 2.32 1.685698519e+00 2.34 1.343741922e+00 2.36 1.028599735e+00 2.38 7.386822311e-01 2.40 4.724453846e-01 2.42 2.284078022e-01 2.44 5.157281676e-03 2.46 -1.986351560e-01 2.48 -3.842166276e-01 2.50 -5.527511361e-01 2.52 -7.053233888e-01 2.54 -8.429454533e-01 2.56 -9.665652452e-01 2.58 -1.077075802e+00 2.60 -1.175324368e+00 2.62 -1.262120253e+00 2.64 -1.338243718e+00 2.66 -1.404448077e+00 2.68 -1.461466303e+00 2.70 -1.510011854e+00 2.72 -1.550783778e+00 2.74 -1.584460617e+00 2.76 -1.611704975e+00 2.78 -1.633160753e+00 2.80 -1.649451347e+00 2.82 -1.661177300e+00 2.84 -1.668913345e+00 2.86 -1.673205087e+00 2.88 -1.674565312e+00 2.90 -1.673470210e+00 2.92 -1.670355709e+00 2.94 -1.665614188e+00 2.96 -1.659591644e+00 2.98 -1.652587085e+00 3.00 -1.644850202e+00 3.02 -1.636582755e+00 3.04 -1.627943165e+00 3.06 -1.619044538e+00 3.08 -1.609962919e+00 3.10 -1.600741047e+00 3.12 -1.591393897e+00 3.14 -1.581914435e+00 3.16 -1.572279268e+00 3.18 -1.562453966e+00 3.20 -1.552397821e+00 3.22 -1.542067885e+00 3.24 -1.531422231e+00 3.26 -1.520422404e+00 3.28 -1.509035078e+00 3.30 -1.497233019e+00 3.32 -1.484995471e+00 3.34 -1.472308033e+00 3.36 -1.459162203e+00 3.38 -1.445554690e+00 3.40 -1.431486576e+00 3.42 -1.416962457e+00 3.44 -1.401989576e+00 3.46 -1.386577045e+00 3.48 -1.370735148e+00 3.50 -1.354474773e+00 3.52 -1.337806960e+00 3.54 -1.320741528e+00 3.56 -1.303291405e+00 3.58 -1.285464945e+00 3.60 -1.267271636e+00 3.62 -1.248720507e+00 3.64 -1.229820285e+00 3.66 -1.210579628e+00 3.68 -1.191007405e+00 3.70 -1.171112075e+00 3.72 -1.150906314e+00 3.74 -1.130400220e+00 3.76 -1.109607191e+00 3.78 -1.088542687e+00 3.80 -1.067224590e+00 3.82 -1.045673546e+00 3.84 -1.023913224e+00 3.86 -1.001970490e+00 3.88 -9.798755396e-01 3.90 -9.576618669e-01 3.92 -9.353661720e-01 3.94 -9.130281307e-01 3.96 -8.906900672e-01 3.98 -8.683964966e-01 4.00 -8.461935844e-01 4.02 -8.241285148e-01 4.04 -8.022487932e-01 4.06 -7.806014837e-01 4.08 -7.592324426e-01 4.10 -7.381855390e-01 4.12 -7.175019101e-01 4.14 -6.972192429e-01 4.16 -6.773711565e-01 4.18 -6.579866544e-01 4.20 -6.390893299e-01 4.22 -6.206986566e-01 4.24 -6.028271807e-01 4.26 -5.854824103e-01 4.28 -5.686663322e-01 4.30 -5.523756391e-01 4.32 -5.366020288e-01 4.34 -5.213326193e-01 4.36 -5.065504524e-01 4.38 -4.922350463e-01 4.40 -4.783630062e-01 4.42 -4.649086448e-01 4.44 -4.518446292e-01 4.46 -4.391425967e-01 4.48 -4.267737613e-01 4.50 -4.147094716e-01 4.52 -4.029217168e-01 4.54 -3.913835893e-01 4.56 -3.800696618e-01 4.58 -3.689563246e-01 4.60 -3.580220356e-01 4.62 -3.472475084e-01 4.64 -3.366158631e-01 4.66 -3.261126776e-01 4.68 -3.157260327e-01 4.70 -3.054464778e-01 4.72 -2.952669691e-01 4.74 -2.851827837e-01 4.76 -2.751913879e-01 4.78 -2.652922993e-01 4.80 -2.554869196e-01 4.82 -2.457783696e-01 4.84 -2.361713019e-01 4.86 -2.266717163e-01 4.88 -2.172867712e-01 4.90 -2.080245955e-01 4.92 -1.988941033e-01 4.94 -1.899048101e-01 4.96 -1.810666589e-01 4.98 -1.723898478e-01 5.00 -1.638846687e-01 5.02 -1.555613529e-01 5.04 -1.474299263e-01 5.06 -1.395000742e-01 5.08 -1.317810169e-01 5.10 -1.242813966e-01 5.12 -1.170091763e-01 5.14 -1.099715506e-01 5.16 -1.031748687e-01 5.18 -9.662457090e-02 5.20 -9.032513895e-02 5.22 -8.428005686e-02 5.24 -7.849136690e-02 5.26 -7.296147527e-02 5.28 -6.769018231e-02 5.30 -6.267687812e-02 5.32 -5.791995210e-02 5.34 -5.341682850e-02 5.36 -4.916401065e-02 5.38 -4.515713248e-02 5.40 -4.139101904e-02 5.42 -3.785975149e-02 5.44 -3.455673813e-02 5.46 -3.147478884e-02 5.48 -2.860619192e-02 5.50 -2.594279210e-02 5.52 -2.347607077e-02 5.54 -2.119722284e-02 5.56 -1.909723392e-02 5.58 -1.716695398e-02 5.60 -1.539716815e-02 5.62 -1.377866318e-02 5.64 -1.230228950e-02 5.66 -1.095901816e-02 5.68 -9.739992363e-03 5.70 -8.636573417e-03 5.72 -7.640380911e-03 5.74 -6.743327208e-03 5.76 -5.937646006e-03 5.78 -5.215915548e-03 5.80 -4.571076401e-03 5.82 -3.996444143e-03 5.84 -3.485717277e-03 5.86 -3.032980865e-03 5.88 -2.632706057e-03 5.90 -2.279746181e-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