# 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 = C3N # 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 1.814140305e+03 nan nan 0.56 1.590086476e+03 nan nan 0.58 1.397666782e+03 1.907871921e+03 nan 0.60 1.231331061e+03 1.688959899e+03 1.878524442e+03 0.62 1.090228197e+03 1.508170857e+03 1.672012419e+03 0.64 9.656967504e+02 1.345882426e+03 1.487606207e+03 0.66 8.559473435e+02 1.198495546e+03 1.325647686e+03 0.68 7.606676057e+02 1.068239854e+03 1.187894550e+03 0.70 6.750830604e+02 9.564392050e+02 1.069047143e+03 0.72 5.956782006e+02 8.587329344e+02 9.576235669e+02 0.74 5.268228099e+02 7.696830012e+02 8.533386058e+02 0.76 4.709271450e+02 6.853122518e+02 7.612640586e+02 0.78 4.249636854e+02 6.082493150e+02 6.850002524e+02 0.80 3.834001800e+02 5.431573008e+02 6.207892520e+02 0.82 3.443565900e+02 4.900191579e+02 5.633548340e+02 0.84 3.063800533e+02 4.442599718e+02 5.102912109e+02 0.86 2.710301156e+02 4.031706465e+02 4.599527786e+02 0.88 2.401995824e+02 3.664336137e+02 4.133283695e+02 0.90 2.150390234e+02 3.338844511e+02 3.720806135e+02 0.92 1.937879125e+02 3.044374204e+02 3.371056294e+02 0.94 1.748063200e+02 2.771131008e+02 3.064706491e+02 0.96 1.572201207e+02 2.508712776e+02 2.780121689e+02 0.98 1.406131902e+02 2.252260373e+02 2.514358303e+02 1.00 1.248469774e+02 1.998557955e+02 2.273586939e+02 1.02 1.100575917e+02 1.759774607e+02 2.063741700e+02 1.04 9.623714740e+01 1.546763645e+02 1.883950584e+02 1.06 8.295975829e+01 1.368088441e+02 1.719030505e+02 1.08 7.061875160e+01 1.230085201e+02 1.557246252e+02 1.10 5.993465530e+01 1.118296909e+02 1.390215347e+02 1.12 5.107863570e+01 1.017899898e+02 1.223936041e+02 1.14 4.403170807e+01 9.205228445e+01 1.065026231e+02 1.16 3.818189992e+01 8.218886506e+01 9.211347731e+01 1.18 3.344526579e+01 7.223859552e+01 8.047882743e+01 1.20 2.953712463e+01 6.245059535e+01 7.194837979e+01 1.22 2.599532005e+01 5.325004111e+01 6.522856153e+01 1.24 2.278574112e+01 4.535399125e+01 5.928864232e+01 1.26 1.988189837e+01 3.950148360e+01 5.382787076e+01 1.28 1.725735008e+01 3.497789711e+01 4.879594139e+01 1.30 1.488783917e+01 3.121220993e+01 4.402499932e+01 1.32 1.275111694e+01 2.779303352e+01 3.943569249e+01 1.34 1.082678082e+01 2.467122176e+01 3.482577105e+01 1.36 9.096125082e+00 2.182311299e+01 3.024932451e+01 1.38 7.542003443e+00 1.922685052e+01 2.581302835e+01 1.40 6.148702660e+00 1.686224788e+01 2.166191291e+01 1.42 4.901826200e+00 1.471066398e+01 1.798740211e+01 1.44 3.788187216e+00 1.275488753e+01 1.498897913e+01 1.46 2.795710086e+00 1.097902997e+01 1.271756844e+01 1.48 1.901971389e+00 9.368426383e+00 1.083412266e+01 1.50 1.047304450e+00 7.909543656e+00 9.222713004e+00 1.52 2.373018522e-01 6.589895506e+00 7.762469330e+00 1.54 -5.715902188e-01 5.397963771e+00 6.437249688e+00 1.56 -1.366904252e+00 4.323006437e+00 5.236346799e+00 1.58 -2.134901818e+00 3.319256184e+00 4.149846187e+00 1.60 -2.870162560e+00 2.362158054e+00 3.168569551e+00 1.62 -3.566471608e+00 1.430272364e+00 2.284022105e+00 1.64 -4.204594833e+00 5.013592262e-01 1.488343604e+00 1.66 -4.678617742e+00 -3.967228142e-01 7.742627989e-01 1.68 -4.798319520e+00 -1.244050371e+00 1.350550977e-01 1.70 -4.716437659e+00 -2.026922913e+00 -4.354968098e-01 1.72 -4.495923009e+00 -2.730401655e+00 -9.431395530e-01 1.74 -4.149332610e+00 -3.328641437e+00 -1.393183106e+00 1.76 -3.719540858e+00 -3.783471295e+00 -1.790532418e+00 1.78 -3.279934380e+00 -4.065560473e+00 -2.139716806e+00 1.80 -2.940317901e+00 -4.235699634e+00 -2.444917282e+00 1.82 -2.811030039e+00 -4.331385184e+00 -2.737903328e+00 1.84 -2.960429664e+00 -4.388941122e+00 -3.034909039e+00 1.86 -3.080617023e+00 -4.419153634e+00 -3.319183295e+00 1.88 -2.931438063e+00 -4.380792160e+00 -3.577485563e+00 1.90 -2.549627324e+00 -4.245185677e+00 -3.758512628e+00 1.92 -2.152896496e+00 -3.989597456e+00 -3.806921019e+00 1.94 -1.757267697e+00 -3.599656620e+00 -3.677151977e+00 1.96 -1.377775252e+00 -3.075539062e+00 -3.342485625e+00 1.98 -1.027855883e+00 -2.438225577e+00 -2.804156001e+00 2.00 -7.188441429e-01 -1.736446982e+00 -2.102413400e+00 2.02 -4.595897830e-01 -1.054918700e+00 -1.333590559e+00 2.04 -2.562078829e-01 -5.209346748e-01 -6.770792436e-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 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