# 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 = O3Zn # 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 5.580548977e+03 nan nan 0.68 5.007335588e+03 nan nan 0.70 4.516733628e+03 nan nan 0.72 4.094493672e+03 5.609763460e+03 nan 0.74 3.717999647e+03 5.090662891e+03 5.582635017e+03 0.76 3.381991759e+03 4.618068736e+03 5.095290465e+03 0.78 3.085211767e+03 4.196955951e+03 4.669221824e+03 0.80 2.816563006e+03 3.828107775e+03 4.279883140e+03 0.82 2.567662781e+03 3.507153700e+03 3.918249566e+03 0.84 2.335764210e+03 3.218417481e+03 3.585541926e+03 0.86 2.119912589e+03 2.951536317e+03 3.281556628e+03 0.88 1.924314833e+03 2.707568050e+03 3.004286952e+03 0.90 1.752856961e+03 2.489131931e+03 2.753196731e+03 0.92 1.603459648e+03 2.296252465e+03 2.522327426e+03 0.94 1.471353664e+03 2.127423982e+03 2.309273856e+03 0.96 1.347367299e+03 1.964287317e+03 2.116223840e+03 0.98 1.231187833e+03 1.800109692e+03 1.944133998e+03 1.00 1.123356084e+03 1.638946049e+03 1.788378699e+03 1.02 1.025652152e+03 1.486499001e+03 1.649761931e+03 1.04 9.398007161e+02 1.348519562e+03 1.527122829e+03 1.06 8.646247914e+02 1.230434668e+03 1.420669084e+03 1.08 7.969215526e+02 1.137042176e+03 1.326104465e+03 1.10 7.344897722e+02 1.060757371e+03 1.235318783e+03 1.12 6.760776987e+02 9.927818553e+02 1.146096845e+03 1.14 6.226712272e+02 9.302539163e+02 1.060151970e+03 1.16 5.743104015e+02 8.716367278e+02 9.788278405e+02 1.18 5.312848187e+02 8.151779021e+02 9.037515131e+02 1.20 4.934510504e+02 7.604633324e+02 8.359858463e+02 1.22 4.598643302e+02 7.071909959e+02 7.757449655e+02 1.24 4.288798268e+02 6.555575958e+02 7.235052161e+02 1.26 3.992436671e+02 6.062666750e+02 6.782549454e+02 1.28 3.709228611e+02 5.584035767e+02 6.365923134e+02 1.30 3.439361479e+02 5.129249453e+02 5.980450582e+02 1.32 3.183970134e+02 4.712725086e+02 5.621333286e+02 1.34 2.940888208e+02 4.336487350e+02 5.277261263e+02 1.36 2.698301066e+02 3.997020148e+02 4.931795261e+02 1.38 2.463418618e+02 3.699075299e+02 4.586792658e+02 1.40 2.246578839e+02 3.437640883e+02 4.239770423e+02 1.42 2.055457046e+02 3.202025865e+02 3.882689883e+02 1.44 1.881739652e+02 2.989364680e+02 3.525484339e+02 1.46 1.722213170e+02 2.798051708e+02 3.180552305e+02 1.48 1.579680055e+02 2.621345410e+02 2.861884035e+02 1.50 1.456145265e+02 2.451791935e+02 2.584068778e+02 1.52 1.352349726e+02 2.289712513e+02 2.359275370e+02 1.54 1.264350726e+02 2.135946441e+02 2.183554377e+02 1.56 1.180131368e+02 1.991918427e+02 2.029429506e+02 1.58 1.095661174e+02 1.859600197e+02 1.894497496e+02 1.60 1.010688075e+02 1.741076343e+02 1.777611238e+02 1.62 9.259118327e+01 1.637645306e+02 1.675379721e+02 1.64 8.421707303e+01 1.542762749e+02 1.580044018e+02 1.66 7.606261790e+01 1.445993268e+02 1.488175300e+02 1.68 6.829662220e+01 1.347830146e+02 1.399803961e+02 1.70 6.115379966e+01 1.248771943e+02 1.314978417e+02 1.72 5.492181246e+01 1.149261575e+02 1.233783282e+02 1.74 4.987919749e+01 1.049845777e+02 1.156359065e+02 1.76 4.618534225e+01 9.514133841e+01 1.082919308e+02 1.78 4.330967261e+01 8.555308298e+01 1.013757572e+02 1.80 4.061376806e+01 7.648285129e+01 9.492328620e+01 1.82 3.808533772e+01 6.832171100e+01 8.897211111e+01 1.84 3.571280425e+01 6.154539287e+01 8.355277156e+01 1.86 3.342107531e+01 5.655893326e+01 7.867754112e+01 1.88 3.117480001e+01 5.317037643e+01 7.430422399e+01 1.90 2.897836917e+01 5.009778577e+01 7.001617152e+01 1.92 2.683317370e+01 4.720319492e+01 6.570413618e+01 1.94 2.473809804e+01 4.447623438e+01 6.139634502e+01 1.96 2.269001074e+01 4.189745644e+01 5.712003685e+01 1.98 2.068437636e+01 3.941729461e+01 5.290342240e+01 2.00 1.871619469e+01 3.702970614e+01 4.877808377e+01 2.02 1.678161949e+01 3.473373984e+01 4.478160217e+01 2.04 1.488083487e+01 3.252802466e+01 4.095993987e+01 2.06 1.302301445e+01 3.041101072e+01 3.736866324e+01 2.08 1.123411151e+01 2.838085170e+01 3.407157870e+01 2.10 9.566764261e+00 2.636270949e+01 3.113513143e+01 2.12 8.106785042e+00 2.432081973e+01 2.861766950e+01 2.14 6.962488370e+00 2.228392520e+01 2.655498983e+01 2.16 6.193252557e+00 2.028209361e+01 2.494222207e+01 2.18 5.608980743e+00 1.834624518e+01 2.353582728e+01 2.20 4.973262874e+00 1.650757139e+01 2.220835240e+01 2.22 4.307575534e+00 1.479653329e+01 2.095537525e+01 2.24 3.638682755e+00 1.324107131e+01 1.977272196e+01 2.26 2.987209396e+00 1.185791320e+01 1.864932265e+01 2.28 2.357628933e+00 1.062749472e+01 1.754181225e+01 2.30 1.773751971e+00 9.551429879e+00 1.644652231e+01 2.32 1.256810673e+00 8.575388139e+00 1.536565191e+01 2.34 8.209411491e-01 7.676965812e+00 1.429991591e+01 2.36 4.731373153e-01 6.853800849e+00 1.324864116e+01 2.38 2.136569925e-01 6.099979875e+00 1.220979483e+01 2.40 3.680445058e-02 5.406619537e+00 1.117994899e+01 2.42 -6.800717083e-02 4.726494355e+00 1.007928315e+01 2.44 -1.150214998e-01 4.018134077e+00 8.856342639e+00 2.46 -1.208358501e-01 3.276932649e+00 7.550404371e+00 2.48 -1.031054302e-01 2.527492978e+00 6.201460953e+00 2.50 -7.927868206e-02 1.796027795e+00 4.849378789e+00 2.52 -6.067472856e-02 1.109074138e+00 3.533733803e+00 2.54 -4.412098016e-02 4.935758863e-01 2.294760162e+00 2.56 -2.976171774e-02 -2.311672988e-02 1.175995478e+00 2.58 -1.797294348e-02 -4.142274120e-01 2.288736495e-01 2.60 -9.055385449e-03 -6.573658276e-01 -4.831009515e-01 2.62 -3.180295420e-03 -7.433193970e-01 -8.915670373e-01 2.64 -3.402227159e-04 -6.884461652e-01 -9.634302751e-01 2.66 0.000000000e+00 -5.479444568e-01 -7.883165395e-01 2.68 0.000000000e+00 -4.091494795e-01 -5.952019835e-01 2.70 0.000000000e+00 -2.864513922e-01 -4.206478436e-01 2.72 0.000000000e+00 -1.833080239e-01 -2.712629045e-01 2.74 0.000000000e+00 -1.022412622e-01 -1.522038857e-01 2.76 0.000000000e+00 -4.468023742e-02 -6.679654447e-02 2.78 0.000000000e+00 -1.089131095e-02 -1.632343367e-02 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 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