# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kinaci-A-Haskins-J-B-Sevik-C-Cagin-T--B-N-C # implementation = 2012--Kinaci-A--B-N-C--LAMMPS--ipr1 # composition = B3N # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 8.092896312e+02 nan nan 0.56 7.132160930e+02 nan nan 0.58 6.259939232e+02 8.458956596e+02 nan 0.60 5.481731680e+02 7.513920504e+02 8.345721768e+02 0.62 4.906262022e+02 6.737525441e+02 7.452320451e+02 0.64 4.350895628e+02 6.061986810e+02 6.664527146e+02 0.66 3.851720127e+02 5.364389676e+02 5.878984900e+02 0.68 3.447491599e+02 4.818662742e+02 5.292033256e+02 0.70 3.068190727e+02 4.288941974e+02 4.778370778e+02 0.72 2.688251273e+02 3.867279891e+02 4.337061278e+02 0.74 2.330086937e+02 3.503333008e+02 3.809299886e+02 0.76 2.096400812e+02 3.111279802e+02 3.368309851e+02 0.78 1.898092972e+02 2.710794207e+02 3.049042451e+02 0.80 1.722448994e+02 2.412871122e+02 2.758440301e+02 0.82 1.561239627e+02 2.188153948e+02 2.505536428e+02 0.84 1.393690050e+02 1.986320533e+02 2.287066789e+02 0.86 1.208576284e+02 1.795787103e+02 2.077743755e+02 0.88 1.062319348e+02 1.636106791e+02 1.828933388e+02 0.90 9.511808208e+01 1.493490113e+02 1.637332618e+02 0.92 8.582838449e+01 1.365842404e+02 1.488390291e+02 0.94 7.775881021e+01 1.249667125e+02 1.360144293e+02 0.96 7.029407215e+01 1.140294395e+02 1.242364016e+02 0.98 6.209732371e+01 1.025220049e+02 1.106862394e+02 1.00 5.496751941e+01 9.200257711e+01 9.883074788e+01 1.02 4.932441270e+01 7.878282445e+01 8.987757925e+01 1.04 4.246020305e+01 6.610503801e+01 8.192749398e+01 1.06 3.481973270e+01 5.890019697e+01 7.496054988e+01 1.08 2.871287845e+01 5.273701655e+01 6.862063654e+01 1.10 2.326803093e+01 4.776131973e+01 6.273954416e+01 1.12 1.892342713e+01 4.349646382e+01 5.409640001e+01 1.14 1.478524975e+01 3.957700338e+01 4.330605993e+01 1.16 1.209782455e+01 3.597617638e+01 3.618017190e+01 1.18 1.034300013e+01 3.157434757e+01 3.154772664e+01 1.20 8.763032192e+00 2.480290784e+01 2.753243371e+01 1.22 7.332759153e+00 1.843595023e+01 2.461947806e+01 1.24 6.045950226e+00 1.555869099e+01 2.214673331e+01 1.26 4.892056708e+00 1.314970747e+01 1.987727714e+01 1.28 3.859269020e+00 1.116144482e+01 1.779570410e+01 1.30 2.936759491e+00 9.582968073e+00 1.588772988e+01 1.32 2.114603464e+00 8.166339465e+00 1.414011152e+01 1.34 1.383706624e+00 6.884110018e+00 1.254057316e+01 1.36 7.357380598e-01 5.725118165e+00 1.061809856e+01 1.38 1.630686127e-01 4.679077410e+00 7.741127102e+00 1.40 -3.412859029e-01 3.736509607e+00 4.771124733e+00 1.42 -7.837169828e-01 2.888683256e+00 3.059958284e+00 1.44 -1.170071576e+00 2.127556448e+00 1.926193442e+00 1.46 -1.505696408e+00 1.445724098e+00 9.663925659e-01 1.48 -1.795478785e+00 8.363691623e-01 2.197089713e-01 1.50 -2.043884153e+00 2.932175243e-01 -3.536587536e-01 1.52 -2.254990670e+00 -1.895037116e-01 -8.600670406e-01 1.54 -2.432521020e+00 -6.171047805e-01 -1.309161107e+00 1.56 -2.620334118e+00 -9.944689053e-01 -1.705837178e+00 1.58 -3.126072069e+00 -1.326085251e+00 -2.054614119e+00 1.60 -3.960873265e+00 -1.616079386e+00 -2.359661126e+00 1.62 -4.858887009e+00 -1.868241439e+00 -2.624823433e+00 1.64 -5.103333064e+00 -2.086052121e+00 -2.853646184e+00 1.66 -5.074686704e+00 -2.314284175e+00 -3.049396595e+00 1.68 -5.004817585e+00 -2.636746887e+00 -3.215084518e+00 1.70 -4.909492843e+00 -3.024412348e+00 -3.353481544e+00 1.72 -4.420531188e+00 -3.391499737e+00 -3.467138716e+00 1.74 -3.251633718e+00 -3.547968762e+00 -3.558402979e+00 1.76 -1.682172498e+00 -3.626072207e+00 -3.629432433e+00 1.78 -4.071492610e-01 -3.671687702e+00 -3.682210497e+00 1.80 -2.291120118e-01 -3.680525876e+00 -3.718559037e+00 1.82 -2.241541503e-01 -3.654050166e+00 -3.740150551e+00 1.84 -2.174864899e-01 -3.609691767e+00 -3.748519467e+00 1.86 -2.103603880e-01 -3.559604854e+00 -3.745072618e+00 1.88 -2.032694872e-01 -3.504556279e+00 -3.731098961e+00 1.90 -1.963668984e-01 -3.445244295e+00 -3.707778582e+00 1.92 -1.850500324e-01 -3.232461190e+00 -3.589291747e+00 1.94 -1.657433115e-01 -2.684681738e+00 -3.177618637e+00 1.96 -1.405189345e-01 -1.795941653e+00 -2.313182866e+00 1.98 -1.118919365e-01 -7.711584310e-01 -1.094770288e+00 2.00 -8.255050256e-02 -2.088132695e-01 -3.132173058e-01 2.02 -5.508242577e-02 -1.450681939e-01 -2.176018492e-01 2.04 -3.172937656e-02 -8.447726554e-02 -1.267158651e-01 2.06 -1.419371140e-02 -3.784712328e-02 -5.677068423e-02 2.08 -3.511819484e-03 -9.364848988e-03 -1.404727348e-02 2.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.54 0.000000000e+00 0.000000000e+00 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