# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Los-J-H-Kroes-J-M-H-Albe-K-et-al--B-N # implementation = 2017--Los-J-H--B-N--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 6.297848660e+03 nan nan 0.56 5.414077820e+03 nan nan 0.58 4.664599018e+03 nan nan 0.60 4.043315584e+03 5.789387242e+03 nan 0.62 3.517561192e+03 5.047434633e+03 5.721215258e+03 0.64 3.063881076e+03 4.447049341e+03 5.022081517e+03 0.66 2.680825813e+03 3.937542886e+03 4.414128995e+03 0.68 2.335485365e+03 3.471510116e+03 3.900083860e+03 0.70 2.017392063e+03 3.057129189e+03 3.452472959e+03 0.72 1.743025537e+03 2.692456760e+03 3.044187096e+03 0.74 1.508281557e+03 2.367653569e+03 2.683497352e+03 0.76 1.309103338e+03 2.068447659e+03 2.353494765e+03 0.78 1.150600198e+03 1.802291752e+03 2.059080763e+03 0.80 1.024605700e+03 1.565161822e+03 1.810019806e+03 0.82 9.180040841e+02 1.357097048e+03 1.608605190e+03 0.84 8.155195798e+02 1.188009892e+03 1.444799898e+03 0.86 7.165686288e+02 1.062409999e+03 1.292945464e+03 0.88 6.251001571e+02 9.665741900e+02 1.151632631e+03 0.90 5.443812341e+02 8.842303183e+02 1.025168317e+03 0.92 4.755008727e+02 8.091047165e+02 9.106316086e+02 0.94 4.189042279e+02 7.397378724e+02 8.063836582e+02 0.96 3.735935591e+02 6.715796812e+02 7.157685073e+02 0.98 3.343288645e+02 5.998135722e+02 6.408996495e+02 1.00 2.961299555e+02 5.271544594e+02 5.787168260e+02 1.02 2.579090231e+02 4.566335588e+02 5.223120158e+02 1.04 2.206370928e+02 3.908733942e+02 4.722780085e+02 1.06 1.855767134e+02 3.320787321e+02 4.252221491e+02 1.08 1.537812196e+02 2.820501107e+02 3.791271662e+02 1.10 1.262282053e+02 2.421266006e+02 3.355169451e+02 1.12 1.028412188e+02 2.106585534e+02 2.937688271e+02 1.14 8.339458547e+01 1.852110446e+02 2.533607037e+02 1.16 6.821876770e+01 1.649896052e+02 2.155568156e+02 1.18 5.733052149e+01 1.454508946e+02 1.814136498e+02 1.20 4.907804017e+01 1.265207515e+02 1.517949147e+02 1.22 4.271164647e+01 1.087003439e+02 1.273741280e+02 1.24 3.767073660e+01 9.240261323e+01 1.085932297e+02 1.26 3.337007179e+01 7.794893490e+01 9.556352136e+01 1.28 2.971428707e+01 6.556993450e+01 8.736573797e+01 1.30 2.641428587e+01 5.540399773e+01 7.972787740e+01 1.32 2.340319473e+01 4.748886274e+01 7.200886504e+01 1.34 2.065815713e+01 4.174776095e+01 6.434943040e+01 1.36 1.815802707e+01 3.767612723e+01 5.688591883e+01 1.38 1.588324545e+01 3.402056291e+01 4.974341187e+01 1.40 1.381572511e+01 3.065514314e+01 4.303084809e+01 1.42 1.193874408e+01 2.755880240e+01 3.683801800e+01 1.44 1.023684634e+01 2.471193199e+01 3.123408458e+01 1.46 8.695749591e+00 2.209628221e+01 2.626712748e+01 1.48 7.277357841e+00 1.969487092e+01 2.196417203e+01 1.50 5.849581065e+00 1.749189825e+01 1.833128817e+01 1.52 4.431562594e+00 1.547266682e+01 1.535364660e+01 1.54 3.065748579e+00 1.362350731e+01 1.299583347e+01 1.56 1.790024106e+00 1.193135278e+01 1.119443532e+01 1.58 6.346469423e-01 1.027514346e+01 9.652250274e+00 1.60 -3.798003891e-01 8.591401824e+00 8.241785786e+00 1.62 -1.254356329e+00 6.918445368e+00 6.953411378e+00 1.64 -2.036553005e+00 5.292082102e+00 5.778148269e+00 1.66 -2.700512129e+00 3.743925536e+00 4.707627254e+00 1.68 -3.220247675e+00 2.300160723e+00 3.734049231e+00 1.70 -3.583270459e+00 9.808130159e-01 2.850148196e+00 1.72 -3.790039022e+00 -2.004729678e-01 2.049156574e+00 1.74 -3.852652291e+00 -1.236182268e+00 1.324772728e+00 1.76 -3.766927841e+00 -2.124288018e+00 6.711305202e-01 1.78 -3.845488215e+00 -2.867338850e+00 8.277079275e-02 1.80 -3.733926172e+00 -3.471422075e+00 -4.453853417e-01 1.82 -3.368849327e+00 -3.959204729e+00 -9.892204272e-01 1.84 -2.774606186e+00 -4.332876042e+00 -1.592377770e+00 1.86 -2.610979158e+00 -4.577522776e+00 -2.209195491e+00 1.88 -2.310863688e+00 -4.688755940e+00 -2.794098271e+00 1.90 -1.920685179e+00 -4.672378689e+00 -3.305012941e+00 1.92 -1.574003866e+00 -4.551235585e+00 -3.706356682e+00 1.94 -1.292469197e+00 -4.354127911e+00 -3.971431084e+00 1.96 -1.082358038e+00 -4.082761926e+00 -4.084096498e+00 1.98 -9.341104684e-01 -3.742600331e+00 -4.039644563e+00 2.00 -7.925992701e-01 -3.362641695e+00 -3.844833001e+00 2.02 -6.553052317e-01 -2.828997111e+00 -3.517096505e+00 2.04 -5.254344675e-01 -2.364339077e+00 -3.080162071e+00 2.06 -4.058856687e-01 -1.980807527e+00 -2.382659703e+00 2.08 -2.991485581e-01 -1.545879166e+00 -2.025461040e+00 2.10 -2.072207358e-01 -1.108862097e+00 -1.544923272e+00 2.12 -1.315481678e-01 -7.210451639e-01 -1.033244723e+00 2.14 -7.299278397e-02 -4.098731212e-01 -5.964313147e-01 2.16 -3.182860238e-02 -1.811745885e-01 -2.684618938e-01 2.18 -7.765738008e-03 -4.439150527e-02 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