# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Pb2PtW # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 5.218783082e+02 5.218783082e+02 1.30 4.879485959e+02 4.879485959e+02 1.32 4.562550598e+02 4.562550598e+02 1.34 4.266565686e+02 4.266565686e+02 1.36 3.990334107e+02 3.990334107e+02 1.38 3.732726170e+02 3.732726170e+02 1.40 3.492578143e+02 3.492578143e+02 1.42 3.268671344e+02 3.268671344e+02 1.44 3.059770715e+02 3.059770715e+02 1.46 2.864678456e+02 2.864678456e+02 1.48 2.682273960e+02 2.682273960e+02 1.50 2.511532964e+02 2.511532964e+02 1.52 2.351527162e+02 2.351527162e+02 1.54 2.201413023e+02 2.201413023e+02 1.56 2.060422383e+02 2.060422383e+02 1.58 1.927859660e+02 1.927859660e+02 1.60 1.803101392e+02 1.803101392e+02 1.62 1.685592601e+02 1.685592601e+02 1.64 1.574838964e+02 1.574838964e+02 1.66 1.470398538e+02 1.470398538e+02 1.68 1.371878146e+02 1.371878146e+02 1.70 1.278934516e+02 1.278934516e+02 1.72 1.191274608e+02 1.191274608e+02 1.74 1.108647735e+02 1.108647735e+02 1.76 1.030829645e+02 1.030829645e+02 1.78 9.576054090e+01 9.576054090e+01 1.80 8.887610630e+01 8.887610630e+01 1.82 8.240764216e+01 8.240764216e+01 1.84 7.634197563e+01 7.634197563e+01 1.86 7.070115677e+01 7.070115677e+01 1.88 6.546962198e+01 6.546962198e+01 1.90 6.061628337e+01 6.061628337e+01 1.92 5.611089506e+01 5.611089506e+01 1.94 5.192589273e+01 5.192589273e+01 1.96 4.803635435e+01 4.803635435e+01 1.98 4.441971995e+01 4.441971995e+01 2.00 4.105543324e+01 4.105543324e+01 2.02 3.792463801e+01 3.792463801e+01 2.04 3.500996131e+01 3.500996131e+01 2.06 3.229536084e+01 3.229536084e+01 2.08 2.976600936e+01 2.976600936e+01 2.10 2.740819548e+01 2.740819548e+01 2.12 2.520924901e+01 2.520924901e+01 2.14 2.315748789e+01 2.315748789e+01 2.16 2.124218497e+01 2.124218497e+01 2.18 1.945354922e+01 1.945354922e+01 2.20 1.778269589e+01 1.778269589e+01 2.22 1.622160200e+01 1.622160200e+01 2.24 1.476303287e+01 1.476303287e+01 2.26 1.340044863e+01 1.340044863e+01 2.28 1.212790488e+01 1.212790488e+01 2.30 1.093994681e+01 1.093994681e+01 2.32 9.831516787e+00 9.831516787e+00 2.34 8.797875089e+00 8.797875089e+00 2.36 7.834529272e+00 7.834529272e+00 2.38 6.937183509e+00 6.937183509e+00 2.40 6.101707779e+00 6.101707779e+00 2.42 5.324132794e+00 5.324132794e+00 2.44 4.600689137e+00 4.600689137e+00 2.46 3.927860628e+00 3.927860628e+00 2.48 3.302264054e+00 3.302264054e+00 2.50 2.720797534e+00 2.720797534e+00 2.52 2.180652626e+00 2.180652626e+00 2.54 1.679286845e+00 1.679286845e+00 2.56 1.214380126e+00 1.214380126e+00 2.58 7.837891081e-01 7.837891081e-01 2.60 3.855095618e-01 3.855095618e-01 2.62 1.679784297e-02 1.679784297e-02 2.64 -3.244891445e-01 -3.244891445e-01 2.66 -6.395009075e-01 -6.395009075e-01 2.68 -9.293853814e-01 -9.293853814e-01 2.70 -1.195274693e+00 -1.195274693e+00 2.72 -1.438276017e+00 -1.438276017e+00 2.74 -1.659465270e+00 -1.659465270e+00 2.76 -1.859882701e+00 -1.859882701e+00 2.78 -2.040530099e+00 -2.040530099e+00 2.80 -2.202370285e+00 -2.202370285e+00 2.82 -2.346329219e+00 -2.346329219e+00 2.84 -2.473302360e+00 -2.473302360e+00 2.86 -2.584165388e+00 -2.584165388e+00 2.88 -2.679789264e+00 -2.679789264e+00 2.90 -2.761058224e+00 -2.761058224e+00 2.92 -2.828887886e+00 -2.828887886e+00 2.94 -2.884239347e+00 -2.884239347e+00 2.96 -2.928124653e+00 -2.928124653e+00 2.98 -2.961599948e+00 -2.961599948e+00 3.00 -2.985745201e+00 -2.985745201e+00 3.02 -3.001633101e+00 -3.001633101e+00 3.04 -3.010292688e+00 -3.010292688e+00 3.06 -3.012677098e+00 -3.012677098e+00 3.08 -3.009636680e+00 -3.009636680e+00 3.10 -3.001907889e+00 -3.001907889e+00 3.12 -2.990110643e+00 -2.990110643e+00 3.14 -2.974764057e+00 -2.974764057e+00 3.16 -2.956288481e+00 -2.956288481e+00 3.18 -2.935028002e+00 -2.935028002e+00 3.20 -2.911260818e+00 -2.911260818e+00 3.22 -2.885208862e+00 -2.885208862e+00 3.24 -2.857044883e+00 -2.857044883e+00 3.26 -2.826910347e+00 -2.826910347e+00 3.28 -2.794982223e+00 -2.794982223e+00 3.30 -2.761402754e+00 -2.761402754e+00 3.32 -2.726257163e+00 -2.726257163e+00 3.34 -2.689595870e+00 -2.689595870e+00 3.36 -2.651453385e+00 -2.651453385e+00 3.38 -2.611863780e+00 -2.611863780e+00 3.40 -2.570910786e+00 -2.570910786e+00 3.42 -2.528721494e+00 -2.528721494e+00 3.44 -2.485251789e+00 -2.485251789e+00 3.46 -2.440503941e+00 -2.440503941e+00 3.48 -2.394540887e+00 -2.394540887e+00 3.50 -2.347480566e+00 -2.347480566e+00 3.52 -2.299484965e+00 -2.299484965e+00 3.54 -2.250717330e+00 -2.250717330e+00 3.56 -2.201342858e+00 -2.201342858e+00 3.58 -2.151553299e+00 -2.151553299e+00 3.60 -2.101553476e+00 -2.101553476e+00 3.62 -2.051548261e+00 -2.051548261e+00 3.64 -2.001732184e+00 -2.001732184e+00 3.66 -1.952281991e+00 -1.952281991e+00 3.68 -1.903352084e+00 -1.903352084e+00 3.70 -1.855072404e+00 -1.855072404e+00 3.72 -1.807548160e+00 -1.807548160e+00 3.74 -1.760860774e+00 -1.760860774e+00 3.76 -1.715069512e+00 -1.715069512e+00 3.78 -1.670213446e+00 -1.670213446e+00 3.80 -1.626313534e+00 -1.626313534e+00 3.82 -1.583374769e+00 -1.583374769e+00 3.84 -1.541388390e+00 -1.541388390e+00 3.86 -1.500334161e+00 -1.500334161e+00 3.88 -1.460182689e+00 -1.460182689e+00 3.90 -1.420897722e+00 -1.420897722e+00 3.92 -1.382437695e+00 -1.382437695e+00 3.94 -1.344760665e+00 -1.344760665e+00 3.96 -1.307821750e+00 -1.307821750e+00 3.98 -1.271578058e+00 -1.271578058e+00 4.00 -1.235989532e+00 -1.235989532e+00 4.02 -1.201020552e+00 -1.201020552e+00 4.04 -1.166641499e+00 -1.166641499e+00 4.06 -1.132830257e+00 -1.132830257e+00 4.08 -1.099573578e+00 -1.099573578e+00 4.10 -1.066866203e+00 -1.066866203e+00 4.12 -1.034719857e+00 -1.034719857e+00 4.14 -1.003150160e+00 -1.003150160e+00 4.16 -9.721850765e-01 -9.721850765e-01 4.18 -9.418607823e-01 -9.418607823e-01 4.20 -9.122190829e-01 -9.122190829e-01 4.22 -8.833041047e-01 -8.833041047e-01 4.24 -8.551585643e-01 -8.551585643e-01 4.26 -8.278200236e-01 -8.278200236e-01 4.28 -8.013175605e-01 -8.013175605e-01 4.30 -7.756692288e-01 -7.756692288e-01 4.32 -7.508805477e-01 -7.508805477e-01 4.34 -7.269440941e-01 -7.269440941e-01 4.36 -7.038401074e-01 -7.038401074e-01 4.38 -6.815378916e-01 -6.815378916e-01 4.40 -6.599977363e-01 -6.599977363e-01 4.42 -6.391730738e-01 -6.391730738e-01 4.44 -6.190126285e-01 -6.190126285e-01 4.46 -5.994623871e-01 -5.994623871e-01 4.48 -5.804672881e-01 -5.804672881e-01 4.50 -5.619725989e-01 -5.619725989e-01 4.52 -5.439250005e-01 -5.439250005e-01 4.54 -5.262734306e-01 -5.262734306e-01 4.56 -5.089697568e-01 -5.089697568e-01 4.58 -4.919693518e-01 -4.919693518e-01 4.60 -4.752316381e-01 -4.752316381e-01 4.62 -4.587206538e-01 -4.587206538e-01 4.64 -4.424056733e-01 -4.424056733e-01 4.66 -4.262618919e-01 -4.262618919e-01 4.68 -4.102711577e-01 -4.102711577e-01 4.70 -3.944227066e-01 -3.944227066e-01 4.72 -3.787138298e-01 -3.787138298e-01 4.74 -3.631503807e-01 -3.631503807e-01 4.76 -3.477470151e-01 -3.477470151e-01 4.78 -3.325270583e-01 -3.325270583e-01 4.80 -3.175204394e-01 -3.175204394e-01 4.82 -3.027686888e-01 -3.027686888e-01 4.84 -2.883137702e-01 -2.883137702e-01 4.86 -2.742026521e-01 -2.742026521e-01 4.88 -2.604831751e-01 -2.604831751e-01 4.90 -2.472015315e-01 -2.472015315e-01 4.92 -2.343998283e-01 -2.343998283e-01 4.94 -2.221139508e-01 -2.221139508e-01 4.96 -2.103719060e-01 -2.103719060e-01 4.98 -1.991927669e-01 -1.991927669e-01 5.00 -1.885862674e-01 -1.885862674e-01 5.02 -1.785530176e-01 -1.785530176e-01 5.04 -1.690852547e-01 -1.690852547e-01 5.06 -1.601679953e-01 -1.601679953e-01 5.08 -1.517804444e-01 -1.517804444e-01 5.10 -1.438975117e-01 -1.438975117e-01 5.12 -1.364913122e-01 -1.364913122e-01 5.14 -1.295325451e-01 -1.295325451e-01 5.16 -1.229916819e-01 -1.229916819e-01 5.18 -1.168399374e-01 -1.168399374e-01 5.20 -1.110499918e-01 -1.110499918e-01 5.22 -1.055964760e-01 -1.055964760e-01 5.24 -1.004562300e-01 -1.004562300e-01 5.26 -9.560837280e-02 -9.560837280e-02 5.28 -9.103421970e-02 -9.103421970e-02 5.30 -8.671708236e-02 -8.671708236e-02 5.32 -8.264199201e-02 -8.264199201e-02 5.34 -7.879505856e-02 -7.879505856e-02 5.36 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