# 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 = BN3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 8.202375596e+02 nan nan 0.56 7.202527869e+02 nan nan 0.58 6.301945816e+02 8.586348603e+02 nan 0.60 5.498870755e+02 7.593732586e+02 8.465375681e+02 0.62 4.906208904e+02 6.789734159e+02 7.539626592e+02 0.64 4.340165639e+02 6.096603843e+02 6.725452391e+02 0.66 3.830192490e+02 5.382066666e+02 5.915054959e+02 0.68 3.417649762e+02 4.819753671e+02 5.307244860e+02 0.70 3.033307821e+02 4.276439856e+02 4.779464988e+02 0.72 2.648681978e+02 3.844946831e+02 4.329841080e+02 0.74 2.285156048e+02 3.474516078e+02 3.792895660e+02 0.76 2.047645959e+02 3.077835760e+02 3.341474043e+02 0.78 1.848249330e+02 2.671299048e+02 3.013604204e+02 0.80 1.673028322e+02 2.367289562e+02 2.719329632e+02 0.82 1.512538641e+02 2.139320181e+02 2.464429410e+02 0.84 1.346202411e+02 1.936822426e+02 2.244546328e+02 0.86 1.162163536e+02 1.746312812e+02 2.034526104e+02 0.88 1.017341627e+02 1.586880509e+02 1.785463759e+02 0.90 9.079630097e+01 1.444793977e+02 1.594055842e+02 0.92 8.170852990e+01 1.317934072e+02 1.445798981e+02 0.94 7.379661858e+01 1.202674414e+02 1.318264080e+02 0.96 6.646045830e+01 1.094342640e+02 1.201063579e+02 0.98 5.842905010e+01 9.805941028e+01 1.066215907e+02 1.00 5.148851050e+01 8.770040862e+01 9.483986061e+01 1.02 4.603724247e+01 7.472871108e+01 8.596956502e+01 1.04 3.947182611e+01 6.237349647e+01 7.811067697e+01 1.06 3.223702713e+01 5.552095173e+01 7.124013412e+01 1.08 2.660568154e+01 4.968522374e+01 6.499916569e+01 1.10 2.164196724e+01 4.487555304e+01 5.922053874e+01 1.12 1.761480659e+01 4.069354527e+01 5.078066813e+01 1.14 1.356848095e+01 3.685724860e+01 4.033776842e+01 1.16 1.092611112e+01 3.333954470e+01 3.369525941e+01 1.18 9.183706335e+00 2.904891716e+01 2.966233048e+01 1.20 7.631646098e+00 2.246467305e+01 2.618930800e+01 1.22 6.241477948e+00 1.635003903e+01 2.341853362e+01 1.24 4.996359745e+00 1.376889093e+01 2.097451725e+01 1.26 3.883505877e+00 1.164753244e+01 1.873469629e+01 1.28 2.891012752e+00 9.843194092e+00 1.668345491e+01 1.30 2.007973568e+00 8.317134453e+00 1.480632048e+01 1.32 1.224397891e+00 6.944025260e+00 1.308988187e+01 1.34 5.311375991e-01 5.704709877e+00 1.152171342e+01 1.36 -8.018132784e-02 4.587946285e+00 9.660907155e+00 1.38 -6.172216102e-01 3.583378956e+00 6.925754687e+00 1.40 -1.086992497e+00 2.681471069e+00 4.162625151e+00 1.42 -1.495903003e+00 1.873441852e+00 2.697324860e+00 1.44 -1.849810919e+00 1.151208626e+00 1.804835448e+00 1.46 -2.154067924e+00 5.073332240e-01 1.024439615e+00 1.48 -2.413561096e+00 -6.502754596e-02 3.534229812e-01 1.50 -2.632751125e+00 -5.721677058e-01 -2.245989426e-01 1.52 -2.815707463e+00 -1.019874449e+00 -7.381669013e-01 1.54 -2.966140669e+00 -1.413467283e+00 -1.193632435e+00 1.56 -3.123288087e+00 -1.757834211e+00 -1.595970167e+00 1.58 -3.561824333e+00 -2.057465176e+00 -1.949770700e+00 1.60 -4.298516117e+00 -2.316482971e+00 -2.259268806e+00 1.62 -5.086290981e+00 -2.538671798e+00 -2.528369616e+00 1.64 -5.228542052e+00 -2.727503676e+00 -2.760672919e+00 1.66 -5.123244459e+00 -2.919320549e+00 -2.959495738e+00 1.68 -5.011020080e+00 -3.178613565e+00 -3.127893274e+00 1.70 -4.900852047e+00 -3.482410303e+00 -3.268678350e+00 1.72 -4.407556735e+00 -3.754135962e+00 -3.384439461e+00 1.74 -3.234275981e+00 -3.814269555e+00 -3.477557516e+00 1.76 -1.661712619e+00 -3.806168715e+00 -3.550221379e+00 1.78 -3.880662533e-01 -3.785604340e+00 -3.604442285e+00 1.80 -2.167975682e-01 -3.753794530e+00 -3.642067214e+00 1.82 -2.218470681e-01 -3.712001874e+00 -3.664791296e+00 1.84 -2.248523559e-01 -3.662777777e+00 -3.674169314e+00 1.86 -2.237531232e-01 -3.608038551e+00 -3.671626374e+00 1.88 -2.168582239e-01 -3.548547448e+00 -3.658467794e+00 1.90 -2.075685030e-01 -3.484998690e+00 -3.635888278e+00 1.92 -1.944688148e-01 -3.259864165e+00 -3.509656295e+00 1.94 -1.743106791e-01 -2.687903456e+00 -3.078910606e+00 1.96 -1.487810763e-01 -1.773896012e+00 -2.197746298e+00 1.98 -1.198828213e-01 -7.356903602e-01 -9.815862200e-01 2.00 -8.985932927e-02 -1.781195172e-01 -2.281074144e-01 2.02 -6.108243620e-02 -1.294231942e-01 -1.722830720e-01 2.04 -3.588912508e-02 -8.129268864e-02 -1.122307072e-01 2.06 -1.636870227e-02 -3.951995670e-02 -5.640349187e-02 2.08 -4.118925254e-03 -1.053068641e-02 -1.546978194e-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 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00