# 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 = 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 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 5.944034021e+03 nan nan 0.56 5.149419843e+03 nan nan 0.58 4.469027629e+03 nan nan 0.60 3.897429222e+03 5.488357878e+03 nan 0.62 3.410981463e+03 4.819092383e+03 5.421494567e+03 0.64 2.992375393e+03 4.269071510e+03 4.787108906e+03 0.66 2.638874997e+03 3.797536245e+03 4.234443473e+03 0.68 2.322526263e+03 3.368370740e+03 3.763811697e+03 0.70 2.030959662e+03 2.987074294e+03 3.352106309e+03 0.72 1.776123273e+03 2.650619768e+03 2.977229664e+03 0.74 1.555617974e+03 2.349977039e+03 2.645022094e+03 0.76 1.366521703e+03 2.074074285e+03 2.342180994e+03 0.78 1.212544760e+03 1.828300370e+03 2.071886337e+03 0.80 1.086841342e+03 1.608912109e+03 1.840877775e+03 0.82 9.787268040e+02 1.415382017e+03 1.650037116e+03 0.84 8.759456837e+02 1.255022250e+03 1.490793362e+03 0.86 7.776984961e+02 1.131199858e+03 1.343423341e+03 0.88 6.870509364e+02 1.033008079e+03 1.206789037e+03 0.90 6.065404477e+02 9.474143963e+02 1.084077127e+03 0.92 5.369072069e+02 8.691756717e+02 9.726006266e+02 0.94 4.784699039e+02 7.969233763e+02 8.707775160e+02 0.96 4.305049814e+02 7.266503905e+02 7.812269702e+02 0.98 3.883389732e+02 6.542568216e+02 7.056482227e+02 1.00 3.474227118e+02 5.819703444e+02 6.415456710e+02 1.02 3.067759283e+02 5.121996683e+02 5.832326859e+02 1.04 2.671518009e+02 4.469947248e+02 5.311373591e+02 1.06 2.296067600e+02 3.881090883e+02 4.821125860e+02 1.08 1.950772558e+02 3.370960935e+02 4.342637977e+02 1.10 1.645422294e+02 2.953134131e+02 3.889002371e+02 1.12 1.380606491e+02 2.614269219e+02 3.454720854e+02 1.14 1.156077156e+02 2.332693402e+02 3.034630042e+02 1.16 9.784569525e+01 2.102287366e+02 2.639002107e+02 1.18 8.508763162e+01 1.879540290e+02 2.276775501e+02 1.20 7.532609867e+01 1.663504456e+02 1.956172002e+02 1.22 6.758886133e+01 1.458869824e+02 1.685087026e+02 1.24 6.125841616e+01 1.269680360e+02 1.470541982e+02 1.26 5.569674523e+01 1.099410109e+02 1.316635066e+02 1.28 5.081576392e+01 9.510171781e+01 1.215284569e+02 1.30 4.635709034e+01 8.268510657e+01 1.120219097e+02 1.32 4.225489785e+01 7.283201500e+01 1.024429538e+02 1.34 3.848212958e+01 6.553679094e+01 9.294456398e+01 1.36 3.501371608e+01 6.023877615e+01 8.367333949e+01 1.38 3.182643254e+01 5.544225779e+01 7.476426854e+01 1.40 2.889876611e+01 5.099708914e+01 6.633748455e+01 1.42 2.621079259e+01 4.687871227e+01 5.849660535e+01 1.44 2.374406194e+01 4.306423670e+01 5.132798082e+01 1.46 2.148149179e+01 3.953232831e+01 4.489998982e+01 1.48 1.936065287e+01 3.626310555e+01 3.926153678e+01 1.50 1.713592122e+01 3.323804248e+01 3.443923739e+01 1.52 1.483380230e+01 3.043987818e+01 3.043351997e+01 1.54 1.252416866e+01 2.785253217e+01 2.721485954e+01 1.56 1.027166535e+01 2.546052691e+01 2.471081953e+01 1.58 8.132381408e+00 2.309597386e+01 2.253559619e+01 1.60 6.151484092e+00 2.066741968e+01 2.052349153e+01 1.62 4.349108114e+00 1.822466380e+01 1.866321205e+01 1.64 2.687920480e+00 1.581434628e+01 1.694420967e+01 1.66 1.209387085e+00 1.347833943e+01 1.535663409e+01 1.68 -4.645583953e-02 1.125262775e+01 1.389128809e+01 1.70 -1.056689358e+00 9.166699545e+00 1.253958564e+01 1.72 -1.815219157e+00 7.243433716e+00 1.129351263e+01 1.74 -2.331346805e+00 5.499421051e+00 1.014559008e+01 1.76 -2.633294238e+00 3.945612217e+00 9.088839643e+00 1.78 -3.128461315e+00 2.588139409e+00 8.116751269e+00 1.80 -3.189265696e+00 1.429123066e+00 7.223252937e+00 1.82 -2.956727708e+00 4.176780681e-01 6.275361894e+00 1.84 -2.571966539e+00 -4.707079516e-01 5.184082166e+00 1.86 -2.288289178e+00 -1.205761966e+00 4.011788923e+00 1.88 -1.906167454e+00 -1.770004686e+00 2.820787759e+00 1.90 -1.650524999e+00 -2.159415483e+00 1.669927724e+00 1.92 -1.505393441e+00 -2.406316469e+00 6.116604076e-01 1.94 -1.333678415e+00 -2.571017054e+00 -3.103724428e-01 1.96 -1.156837212e+00 -2.646235334e+00 -1.063169173e+00 1.98 -1.012639289e+00 -2.627502467e+00 -1.625587722e+00 2.00 -8.708338125e-01 -2.465220164e+00 -1.988946620e+00 2.02 -7.302673861e-01 -2.071447290e+00 -2.157016278e+00 2.04 -5.941903664e-01 -1.733937000e+00 -2.146082374e+00 2.06 -4.658758051e-01 -1.471533091e+00 -1.988787253e+00 2.08 -3.484784782e-01 -1.260986557e+00 -1.671913944e+00 2.10 -2.448891967e-01 -9.809166894e-01 -1.290309600e+00 2.12 -1.575926414e-01 -6.880289176e-01 -9.083253973e-01 2.14 -8.853656561e-02 -4.183149262e-01 -5.724668184e-01 2.16 -3.901885484e-02 -1.930782869e-01 -2.786899833e-01 2.18 -9.595497077e-03 -4.858627261e-02 -7.198196606e-02 2.20 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