# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Erhart-P-Juslin-N-Goy-O-et-al--Zn-O # implementation = Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_003 # composition = OZn3 # 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 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 6.441953067e+03 nan nan 0.68 5.819211752e+03 nan nan 0.70 5.256920605e+03 nan nan 0.72 4.749678848e+03 6.439575550e+03 nan 0.74 4.288483284e+03 5.849439610e+03 6.435315164e+03 0.76 3.871675898e+03 5.317081027e+03 5.855413616e+03 0.78 3.508275193e+03 4.844262926e+03 5.342242956e+03 0.80 3.193400496e+03 4.429747734e+03 4.879632919e+03 0.82 2.914070105e+03 4.058884098e+03 4.458342216e+03 0.84 2.664049001e+03 3.712700703e+03 4.082665618e+03 0.86 2.436355616e+03 3.390442181e+03 3.748052655e+03 0.88 2.227989886e+03 3.098278387e+03 3.443993846e+03 0.90 2.037861564e+03 2.839097123e+03 3.170437719e+03 0.92 1.861368221e+03 2.610053248e+03 2.922685030e+03 0.94 1.701410467e+03 2.413499414e+03 2.692778245e+03 0.96 1.555778726e+03 2.232089060e+03 2.477834135e+03 0.98 1.424218983e+03 2.057238334e+03 2.280024262e+03 1.00 1.307097701e+03 1.891098353e+03 2.100556235e+03 1.02 1.202257950e+03 1.737829002e+03 1.939907709e+03 1.04 1.108512661e+03 1.598388754e+03 1.794740616e+03 1.06 1.023323736e+03 1.472329328e+03 1.664221826e+03 1.08 9.442622938e+02 1.359405244e+03 1.545893786e+03 1.10 8.719301343e+02 1.257266533e+03 1.434606229e+03 1.12 8.064957470e+02 1.163694730e+03 1.329436140e+03 1.14 7.462920217e+02 1.078320835e+03 1.232194486e+03 1.16 6.898883351e+02 1.001485227e+03 1.143103428e+03 1.18 6.375580798e+02 9.322334600e+02 1.059893842e+03 1.20 5.892685209e+02 8.700396184e+02 9.817726615e+02 1.22 5.445560437e+02 8.131044057e+02 9.080045830e+02 1.24 5.029176915e+02 7.595377824e+02 8.388226733e+02 1.26 4.639878372e+02 7.090817505e+02 7.743189798e+02 1.28 4.283628716e+02 6.604184743e+02 7.139612195e+02 1.30 3.966097198e+02 6.138650576e+02 6.594205858e+02 1.32 3.680340343e+02 5.701751228e+02 6.127762523e+02 1.34 3.412821978e+02 5.295061714e+02 5.733107359e+02 1.36 3.147005007e+02 4.917082764e+02 5.369829460e+02 1.38 2.881319496e+02 4.570549065e+02 5.031831308e+02 1.40 2.613193876e+02 4.247787927e+02 4.705017187e+02 1.42 2.342803053e+02 3.938669043e+02 4.380122609e+02 1.44 2.063192488e+02 3.641911237e+02 4.063282885e+02 1.46 1.768199023e+02 3.356516848e+02 3.761217172e+02 1.48 1.455002611e+02 3.077217834e+02 3.479830424e+02 1.50 1.135371804e+02 2.797873147e+02 3.223616149e+02 1.52 8.729775384e+01 2.516862294e+02 2.995144062e+02 1.54 7.505033091e+01 2.228964200e+02 2.791624556e+02 1.56 6.619011285e+01 1.923711942e+02 2.601757264e+02 1.58 5.830888002e+01 1.594011826e+02 2.424782053e+02 1.60 5.165853635e+01 1.260319132e+02 2.259828303e+02 1.62 4.655663832e+01 1.036681245e+02 2.101799881e+02 1.64 4.294514064e+01 9.663336233e+01 1.945697451e+02 1.66 3.975715182e+01 8.979424244e+01 1.790533999e+02 1.68 3.679378282e+01 8.293817885e+01 1.637907219e+02 1.70 3.403961829e+01 7.612142188e+01 1.489603938e+02 1.72 3.148028769e+01 6.940279296e+01 1.347388178e+02 1.74 2.910239477e+01 6.285072744e+01 1.212446427e+02 1.76 2.689345178e+01 5.655140673e+01 1.084624793e+02 1.78 2.484181816e+01 5.061577364e+01 9.577252051e+01 1.80 2.293664339e+01 4.518093372e+01 8.254139751e+01 1.82 2.116781365e+01 4.039928268e+01 6.901071572e+01 1.84 1.952590214e+01 3.640985218e+01 5.622917621e+01 1.86 1.800212269e+01 3.329500105e+01 4.651106928e+01 1.88 1.658828655e+01 3.091819732e+01 4.210947369e+01 1.90 1.527676205e+01 2.874595188e+01 3.922613955e+01 1.92 1.406043705e+01 2.671712284e+01 3.636599710e+01 1.94 1.293268383e+01 2.482253325e+01 3.354794383e+01 1.96 1.188732642e+01 2.305358415e+01 3.079133491e+01 1.98 1.091861011e+01 2.140221840e+01 2.811632674e+01 2.00 1.002117297e+01 1.986088679e+01 2.554432591e+01 2.02 9.190019353e+00 1.842251627e+01 2.309833303e+01 2.04 8.420495159e+00 1.708048017e+01 2.080291566e+01 2.06 7.708264741e+00 1.582857027e+01 1.868350609e+01 2.08 7.049289394e+00 1.466075195e+01 1.676475414e+01 2.10 6.439807281e+00 1.353234790e+01 1.506784269e+01 2.12 5.876314706e+00 1.242007489e+01 1.360703373e+01 2.14 5.355548656e+00 1.133480633e+01 1.238618588e+01 2.16 4.849433401e+00 1.028726336e+01 1.139427907e+01 2.18 4.268584570e+00 9.287341644e+00 1.051964818e+01 2.20 3.604099716e+00 8.343566072e+00 9.703984391e+00 2.22 2.895986858e+00 7.462696900e+00 8.943548599e+00 2.24 2.184537574e+00 6.649497844e+00 8.234831049e+00 2.26 1.506692370e+00 5.906663646e+00 7.574537541e+00 2.28 8.938255751e-01 5.234892605e+00 6.959576449e+00 2.30 3.700050969e-01 4.632001158e+00 6.387046508e+00 2.32 -4.922873704e-02 4.073481395e+00 5.854225331e+00 2.34 -3.575285794e-01 3.551219116e+00 5.358558617e+00 2.36 -5.578047043e-01 3.065940356e+00 4.897649988e+00 2.38 -6.616193331e-01 2.617450160e+00 4.469251450e+00 2.40 -6.878120732e-01 2.204975840e+00 4.071254409e+00 2.42 -6.602608386e-01 1.806033910e+00 3.662985897e+00 2.44 -6.047824714e-01 1.403188108e+00 3.215122457e+00 2.46 -5.454342774e-01 1.000678322e+00 2.743262855e+00 2.48 -5.008589752e-01 6.147694282e-01 2.263085772e+00 2.50 -4.809709959e-01 2.603641975e-01 1.789528091e+00 2.52 -4.770436347e-01 -5.050476181e-02 1.336060586e+00 2.54 -4.729268940e-01 -3.094839745e-01 9.140958441e-01 2.56 -4.681522684e-01 -5.124525999e-01 5.325545232e-01 2.58 -4.627936936e-01 -6.597164901e-01 1.976068080e-01 2.60 -4.569192934e-01 -7.557493200e-01 -8.740370270e-02 2.62 -4.505917869e-01 -8.084374891e-01 -3.218564890e-01 2.64 -4.438688689e-01 -8.278809639e-01 -5.075842439e-01 2.66 -4.361303291e-01 -8.269558379e-01 -6.487428991e-01 2.68 -4.235119759e-01 -8.121475515e-01 -7.498516632e-01 2.70 -4.057818598e-01 -7.840769200e-01 -8.120975189e-01 2.72 -3.835163308e-01 -7.445543034e-01 -8.385836597e-01 2.74 -3.573933358e-01 -6.962680828e-01 -8.343243852e-01 2.76 -3.281679917e-01 -6.424920294e-01 -8.056276447e-01 2.78 -2.966471771e-01 -5.867967089e-01 -7.595284354e-01 2.80 -2.636639790e-01 -5.327807928e-01 -7.033056446e-01 2.82 -2.300527755e-01 -4.788504421e-01 -6.410425523e-01 2.84 -1.966256607e-01 -4.218654338e-01 -5.727989603e-01 2.86 -1.641508302e-01 -3.631009397e-01 -5.000089337e-01 2.88 -1.333334436e-01 -3.039799158e-01 -4.244422659e-01 2.90 -1.047993715e-01 -2.460451249e-01 -3.481927858e-01 2.92 -7.908212282e-02 -1.909176777e-01 -2.736411926e-01 2.94 -5.661313308e-02 -1.402387088e-01 -2.033801797e-01 2.96 -3.771548615e-02 -9.559136543e-02 -1.400890972e-01 2.98 -2.260103632e-02 -5.840283221e-02 -8.635042593e-02 3.00 -1.137080190e-02 -2.983150825e-02 -4.441382261e-02 3.02 -4.018416021e-03 -1.065249929e-02 -1.593539676e-02 3.04 -4.363473969e-04 -1.162827483e-03 -1.743714550e-03 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 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