# 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 = BC3 # 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 1.826263522e+03 nan nan 0.56 1.601896999e+03 nan nan 0.58 1.409125815e+03 1.920222435e+03 nan 0.60 1.242480671e+03 1.701309554e+03 1.890785574e+03 0.62 1.100846101e+03 1.519946873e+03 1.683968763e+03 0.64 9.758099947e+02 1.357006273e+03 1.499110784e+03 0.66 8.656522577e+02 1.209207664e+03 1.336734352e+03 0.68 7.699561180e+02 1.078761714e+03 1.198673206e+03 0.70 6.839672762e+02 9.666377053e+02 1.079318714e+03 0.72 6.041895616e+02 8.684049427e+02 9.673711398e+02 0.74 5.350216054e+02 7.787608539e+02 8.627791915e+02 0.76 4.787894723e+02 6.940473750e+02 7.705850079e+02 0.78 4.323856745e+02 6.168500249e+02 6.940778417e+02 0.80 3.903886504e+02 5.515895969e+02 6.294877496e+02 0.82 3.509592286e+02 4.981198296e+02 5.716338100e+02 0.84 3.126340303e+02 4.520081601e+02 5.181143815e+02 0.86 2.770264495e+02 4.105646110e+02 4.673969381e+02 0.88 2.459869087e+02 3.734466923e+02 4.205092048e+02 0.90 2.205793992e+02 3.404967510e+02 3.790391628e+02 0.92 1.990400672e+02 3.106889696e+02 3.437672850e+02 0.94 1.797898551e+02 2.830281191e+02 3.128252995e+02 0.96 1.619961945e+02 2.564756552e+02 2.841606048e+02 0.98 1.451966714e+02 2.305477083e+02 2.574070438e+02 1.00 1.292358919e+02 2.049347735e+02 2.331290904e+02 1.02 1.142758359e+02 1.808771127e+02 2.118752235e+02 1.04 1.003115723e+02 1.594474656e+02 1.935816813e+02 1.06 8.692891205e+01 1.414467834e+02 1.768223810e+02 1.08 7.448719797e+01 1.274193021e+02 1.603954880e+02 1.10 6.368176303e+01 1.160231368e+02 1.434661159e+02 1.12 5.471802959e+01 1.057885558e+02 1.266634569e+02 1.14 4.757218225e+01 9.587109199e+01 1.106746909e+02 1.16 4.160930878e+01 8.591021705e+01 9.624444688e+01 1.18 3.672923354e+01 7.593970753e+01 8.451507972e+01 1.20 3.265040325e+01 6.617112731e+01 7.579188504e+01 1.22 2.895676977e+01 5.699965645e+01 6.889953242e+01 1.24 2.560469169e+01 4.907808197e+01 6.279901724e+01 1.26 2.256520656e+01 4.307457702e+01 5.718459220e+01 1.28 1.981154274e+01 3.837478160e+01 5.200566270e+01 1.30 1.731912909e+01 3.445456118e+01 4.709409556e+01 1.32 1.506541795e+01 3.088862356e+01 4.237762350e+01 1.34 1.302972220e+01 2.762672368e+01 3.768195061e+01 1.36 1.119306524e+01 2.464489503e+01 3.305183410e+01 1.38 9.538042955e+00 2.192099008e+01 2.857601820e+01 1.40 8.048696664e+00 1.943454484e+01 2.438854451e+01 1.42 6.710396217e+00 1.716665346e+01 2.066474185e+01 1.44 5.509732389e+00 1.509985202e+01 1.758530445e+01 1.46 4.434417880e+00 1.321801092e+01 1.519739446e+01 1.48 3.461827776e+00 1.150623526e+01 1.320284572e+01 1.50 2.532103605e+00 9.950772475e+00 1.148907594e+01 1.52 1.652010748e+00 8.538926893e+00 9.931040093e+00 1.54 7.863523970e-01 7.258980555e+00 8.512247949e+00 1.56 -5.187113491e-02 6.100000803e+00 7.221810155e+00 1.58 -8.496475515e-01 5.016038404e+00 6.049638015e+00 1.60 -1.602473750e+00 3.982364813e+00 4.986386524e+00 1.62 -2.306835983e+00 2.971965794e+00 4.023401389e+00 1.64 -2.951197324e+00 1.956711697e+00 3.152669735e+00 1.66 -3.447650725e+00 9.692319773e-01 2.366774277e+00 1.68 -3.661062461e+00 3.511596948e-02 1.658850680e+00 1.70 -3.726764766e+00 -8.266456393e-01 1.022547926e+00 1.72 -3.684964940e+00 -1.597706214e+00 4.519914444e-01 1.74 -3.533254469e+00 -2.252126988e+00 -5.825115761e-02 1.76 -3.298158279e+00 -2.755089314e+00 -5.132019656e-01 1.78 -3.035578759e+00 -3.081590210e+00 -9.175023812e-01 1.80 -2.836859694e+00 -3.294187085e+00 -1.275440661e+00 1.82 -2.793240475e+00 -3.430498326e+00 -1.618888908e+00 1.84 -2.960429664e+00 -3.526926981e+00 -1.964179406e+00 1.86 -3.080617023e+00 -3.597894531e+00 -2.298788411e+00 1.88 -2.931438063e+00 -3.622028229e+00 -2.632576445e+00 1.90 -2.549627324e+00 -3.569961079e+00 -2.913623726e+00 1.92 -2.152896496e+00 -3.414008137e+00 -3.081199828e+00 1.94 -1.757267697e+00 -3.134354728e+00 -3.083940633e+00 1.96 -1.377775252e+00 -2.725155827e+00 -2.888790783e+00 1.98 -1.027855883e+00 -2.200539562e+00 -2.489745779e+00 2.00 -7.188441429e-01 -1.601040617e+00 -1.918034492e+00 2.02 -4.595897830e-01 -1.001010901e+00 -1.257334600e+00 2.04 -2.562078829e-01 -5.144861426e-01 -6.675494546e-01 2.06 -1.119662870e-01 -2.430987604e-01 -3.311364562e-01 2.08 -2.730821137e-02 -6.727889083e-02 -9.698353027e-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