# 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 = Ga2N # 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 4.679086489e+02 1.16 4.140213987e+02 1.18 3.662097737e+02 1.20 3.234926147e+02 1.22 2.852162598e+02 1.24 2.509453038e+02 1.26 2.203378998e+02 1.28 1.931014329e+02 1.30 1.689754380e+02 1.32 1.477147856e+02 1.34 1.290735961e+02 1.36 1.127941232e+02 1.38 9.862231426e+01 1.40 8.634542451e+01 1.42 7.577544487e+01 1.44 6.669955505e+01 1.46 5.889807574e+01 1.48 5.217830001e+01 1.50 4.637643343e+01 1.52 4.135087053e+01 1.54 3.698008939e+01 1.56 3.316059260e+01 1.58 2.980518462e+01 1.60 2.684113480e+01 1.62 2.420808683e+01 1.64 2.185594162e+01 1.66 1.974317361e+01 1.68 1.783555568e+01 1.70 1.610501912e+01 1.72 1.452856283e+01 1.74 1.308729688e+01 1.76 1.176565729e+01 1.78 1.055059501e+01 1.80 9.431257826e+00 1.82 8.398444969e+00 1.84 7.444339908e+00 1.86 6.562093989e+00 1.88 5.745089728e+00 1.90 4.985848289e+00 1.92 4.275618257e+00 1.94 3.607167915e+00 1.96 2.980171610e+00 1.98 2.402127881e+00 2.00 1.879964816e+00 2.02 1.412576732e+00 2.04 9.924552366e-01 2.06 6.119559195e-01 2.08 2.661998273e-01 2.10 -4.762814471e-02 2.12 -3.315237552e-01 2.14 -5.872434302e-01 2.16 -8.164660280e-01 2.18 -1.020798975e+00 2.20 -1.201786382e+00 2.22 -1.360895486e+00 2.24 -1.499516860e+00 2.26 -1.618988199e+00 2.28 -1.720636517e+00 2.30 -1.805812532e+00 2.32 -1.875867399e+00 2.34 -1.932234418e+00 2.36 -1.976221287e+00 2.38 -2.009099055e+00 2.40 -2.032061521e+00 2.42 -2.046210458e+00 2.44 -2.052547436e+00 2.46 -2.051967742e+00 2.48 -2.045257775e+00 2.50 -2.033096911e+00 2.52 -2.016063823e+00 2.54 -1.994646556e+00 2.56 -1.969255408e+00 2.58 -1.940237420e+00 2.60 -1.907891386e+00 2.62 -1.872482030e+00 2.64 -1.834255408e+00 2.66 -1.793447360e+00 2.68 -1.750295987e+00 2.70 -1.705048451e+00 2.72 -1.657966442e+00 2.74 -1.609329416e+00 2.76 -1.559435739e+00 2.78 -1.508601782e+00 2.80 -1.457159089e+00 2.82 -1.405449905e+00 2.84 -1.353821169e+00 2.86 -1.302617442e+00 2.88 -1.252173051e+00 2.90 -1.202803995e+00 2.92 -1.154800042e+00 2.94 -1.108417542e+00 2.96 -1.063873392e+00 2.98 -1.021340538e+00 3.00 -9.809452637e-01 3.02 -9.427657311e-01 3.04 -9.068361280e-01 3.06 -8.731444181e-01 3.08 -8.416407952e-01 3.10 -8.122420332e-01 3.12 -7.848378523e-01 3.14 -7.592976765e-01 3.16 -7.354773281e-01 3.18 -7.132253475e-01 3.20 -6.923886323e-01 3.22 -6.728172091e-01 3.24 -6.543680111e-01 3.26 -6.369059663e-01 3.28 -6.203132307e-01 3.30 -6.044778289e-01 3.32 -5.893030354e-01 3.34 -5.747043193e-01 3.36 -5.606085016e-01 3.38 -5.469526037e-01 3.40 -5.336825351e-01 3.42 -5.207517055e-01 3.44 -5.081196843e-01 3.46 -4.957509425e-01 3.48 -4.836137349e-01 3.50 -4.716791525e-01 3.52 -4.599203445e-01 3.54 -4.483119083e-01 3.56 -4.368294715e-01 3.58 -4.254494024e-01 3.60 -4.141486867e-01 3.62 -4.029049225e-01 3.64 -3.916964221e-01 3.66 -3.805024153e-01 3.68 -3.693033304e-01 3.70 -3.580801719e-01 3.72 -3.468191791e-01 3.74 -3.355050516e-01 3.76 -3.241268618e-01 3.78 -3.126768420e-01 3.80 -3.011507715e-01 3.82 -2.895483375e-01 3.84 -2.778734106e-01 3.86 -2.661342359e-01 3.88 -2.543435543e-01 3.90 -2.425185869e-01 3.92 -2.306809226e-01 3.94 -2.188562773e-01 3.96 -2.070741523e-01 3.98 -1.953673541e-01 4.00 -1.837714287e-01 4.02 -1.723240038e-01 4.04 -1.610640530e-01 4.06 -1.500311147e-01 4.08 -1.392644793e-01 4.10 -1.288023779e-01 4.12 -1.186811899e-01 4.14 -1.089346999e-01 4.16 -9.959342447e-02 4.18 -9.068402646e-02 4.20 -8.222883831e-02 4.22 -7.424550171e-02 4.24 -6.674673413e-02 4.26 -5.974022313e-02 4.28 -5.322864755e-02 4.30 -4.720981898e-02 4.32 -4.167693312e-02 4.34 -3.661891607e-02 4.36 -3.202085088e-02 4.38 -2.786446517e-02 4.40 -2.412866170e-02 4.42 -2.079007269e-02 4.44 -1.781500727e-02 4.46 -1.519591643e-02 4.48 -1.289559225e-02 4.50 -1.088703369e-02 4.52 -9.143513857e-03 4.54 -7.638962160e-03 4.56 -6.348287323e-03 4.58 -5.247639111e-03 4.60 -4.314609841e-03 4.62 -3.528377816e-03 4.64 -2.869796799e-03 4.66 -2.321437299e-03 4.68 -1.867585109e-03 4.70 -1.494204311e-03 4.72 -1.188871181e-03 4.74 -9.406855861e-04 4.76 -7.401661424e-04 4.78 -5.791347660e-04 4.80 -4.505955170e-04 4.82 -3.486120989e-04 4.84 -2.681874068e-04 4.86 -2.051478576e-04 4.88 -1.560346256e-04 4.90 -1.180031144e-04 4.92 -8.873149763e-05 4.94 -6.633881697e-05 4.96 -4.931252025e-05 4.98 -3.644521384e-05 5.00 -2.678009897e-05 5.02 -1.956442093e-05 5.04 -1.421019261e-05 5.06 -1.026139323e-05 5.08 -7.366844838e-06 5.10 -5.258007078e-06 5.12 -3.730964634e-06 5.14 -2.631948498e-06 5.16 -1.845806146e-06 5.18 -1.286896578e-06 5.20 -8.919622362e-07 5.22 -6.145980938e-07 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