# 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 = Pb2PdW # 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 4.874817527e+02 4.874817527e+02 1.30 4.548933971e+02 4.548933971e+02 1.32 4.245596619e+02 4.245596619e+02 1.34 3.963150030e+02 3.963150030e+02 1.36 3.700129377e+02 3.700129377e+02 1.38 3.455204762e+02 3.455204762e+02 1.40 3.227132949e+02 3.227132949e+02 1.42 3.014724262e+02 3.014724262e+02 1.44 2.816828060e+02 2.816828060e+02 1.46 2.632336174e+02 2.632336174e+02 1.48 2.460198126e+02 2.460198126e+02 1.50 2.299437643e+02 2.299437643e+02 1.52 2.149162200e+02 2.149162200e+02 1.54 2.008564773e+02 2.008564773e+02 1.56 1.876919666e+02 1.876919666e+02 1.58 1.753574977e+02 1.753574977e+02 1.60 1.637942624e+02 1.637942624e+02 1.62 1.529487649e+02 1.529487649e+02 1.64 1.427718603e+02 1.427718603e+02 1.66 1.332181806e+02 1.332181806e+02 1.68 1.242459586e+02 1.242459586e+02 1.70 1.158170317e+02 1.158170317e+02 1.72 1.078968365e+02 1.078968365e+02 1.74 1.004542814e+02 1.004542814e+02 1.76 9.346165841e+01 9.346165841e+01 1.78 8.689450363e+01 8.689450363e+01 1.80 8.073011736e+01 8.073011736e+01 1.82 7.495411741e+01 7.495411741e+01 1.84 6.956159148e+01 6.956159148e+01 1.86 6.453938004e+01 6.453938004e+01 1.88 5.986380418e+01 5.986380418e+01 1.90 5.551157843e+01 5.551157843e+01 1.92 5.146018869e+01 5.146018869e+01 1.94 4.768815029e+01 4.768815029e+01 1.96 4.417519216e+01 4.417519216e+01 1.98 4.090236760e+01 4.090236760e+01 2.00 3.785208435e+01 3.785208435e+01 2.02 3.500806648e+01 3.500806648e+01 2.04 3.235526319e+01 3.235526319e+01 2.06 2.987973781e+01 2.987973781e+01 2.08 2.756857055e+01 2.756857055e+01 2.10 2.540978303e+01 2.540978303e+01 2.12 2.339230413e+01 2.339230413e+01 2.14 2.150595190e+01 2.150595190e+01 2.16 1.974142288e+01 1.974142288e+01 2.18 1.809027135e+01 1.809027135e+01 2.20 1.654486066e+01 1.654486066e+01 2.22 1.509829670e+01 1.509829670e+01 2.24 1.374434234e+01 1.374434234e+01 2.26 1.247732548e+01 1.247732548e+01 2.28 1.129205236e+01 1.129205236e+01 2.30 1.018372220e+01 1.018372220e+01 2.32 9.147855133e+00 9.147855133e+00 2.34 8.180239129e+00 8.180239129e+00 2.36 7.276879576e+00 7.276879576e+00 2.38 6.434031166e+00 6.434031166e+00 2.40 5.648062023e+00 5.648062023e+00 2.42 4.915426089e+00 4.915426089e+00 2.44 4.232774594e+00 4.232774594e+00 2.46 3.596966210e+00 3.596966210e+00 2.48 3.005072490e+00 3.005072490e+00 2.50 2.454374893e+00 2.454374893e+00 2.52 1.942352913e+00 1.942352913e+00 2.54 1.466684700e+00 1.466684700e+00 2.56 1.025366623e+00 1.025366623e+00 2.58 6.165846614e-01 6.165846614e-01 2.60 2.386067794e-01 2.386067794e-01 2.62 -1.102175072e-01 -1.102175072e-01 2.64 -4.314639406e-01 -4.314639406e-01 2.66 -7.266306703e-01 -7.266306703e-01 2.68 -9.971482957e-01 -9.971482957e-01 2.70 -1.244383256e+00 -1.244383256e+00 2.72 -1.469641606e+00 -1.469641606e+00 2.74 -1.674171602e+00 -1.674171602e+00 2.76 -1.859165459e+00 -1.859165459e+00 2.78 -2.025760865e+00 -2.025760865e+00 2.80 -2.175052373e+00 -2.175052373e+00 2.82 -2.308448514e+00 -2.308448514e+00 2.84 -2.426953250e+00 -2.426953250e+00 2.86 -2.531288016e+00 -2.531288016e+00 2.88 -2.622172745e+00 -2.622172745e+00 2.90 -2.700332039e+00 -2.700332039e+00 2.92 -2.766501072e+00 -2.766501072e+00 2.94 -2.821435813e+00 -2.821435813e+00 2.96 -2.865982807e+00 -2.865982807e+00 2.98 -2.901032809e+00 -2.901032809e+00 3.00 -2.927450254e+00 -2.927450254e+00 3.02 -2.946061603e+00 -2.946061603e+00 3.04 -2.957644958e+00 -2.957644958e+00 3.06 -2.962923755e+00 -2.962923755e+00 3.08 -2.962558828e+00 -2.962558828e+00 3.10 -2.957148199e+00 -2.957148199e+00 3.12 -2.947225664e+00 -2.947225664e+00 3.14 -2.933270376e+00 -2.933270376e+00 3.16 -2.915699809e+00 -2.915699809e+00 3.18 -2.894881085e+00 -2.894881085e+00 3.20 -2.871131672e+00 -2.871131672e+00 3.22 -2.844721206e+00 -2.844721206e+00 3.24 -2.815873008e+00 -2.815873008e+00 3.26 -2.784766369e+00 -2.784766369e+00 3.28 -2.751540619e+00 -2.751540619e+00 3.30 -2.716301554e+00 -2.716301554e+00 3.32 -2.679189017e+00 -2.679189017e+00 3.34 -2.640295595e+00 -2.640295595e+00 3.36 -2.599533018e+00 -2.599533018e+00 3.38 -2.556844250e+00 -2.556844250e+00 3.40 -2.512217201e+00 -2.512217201e+00 3.42 -2.465692713e+00 -2.465692713e+00 3.44 -2.417352185e+00 -2.417352185e+00 3.46 -2.367275087e+00 -2.367275087e+00 3.48 -2.315593906e+00 -2.315593906e+00 3.50 -2.262506514e+00 -2.262506514e+00 3.52 -2.208263769e+00 -2.208263769e+00 3.54 -2.153154171e+00 -2.153154171e+00 3.56 -2.097487000e+00 -2.097487000e+00 3.58 -2.041575625e+00 -2.041575625e+00 3.60 -1.985722565e+00 -1.985722565e+00 3.62 -1.930207470e+00 -1.930207470e+00 3.64 -1.875278667e+00 -1.875278667e+00 3.66 -1.821148343e+00 -1.821148343e+00 3.68 -1.767990949e+00 -1.767990949e+00 3.70 -1.715944124e+00 -1.715944124e+00 3.72 -1.665111266e+00 -1.665111266e+00 3.74 -1.615565001e+00 -1.615565001e+00 3.76 -1.567350923e+00 -1.567350923e+00 3.78 -1.520491256e+00 -1.520491256e+00 3.80 -1.474988303e+00 -1.474988303e+00 3.82 -1.430827696e+00 -1.430827696e+00 3.84 -1.387981511e+00 -1.387981511e+00 3.86 -1.346411327e+00 -1.346411327e+00 3.88 -1.306071216e+00 -1.306071216e+00 3.90 -1.266910613e+00 -1.266910613e+00 3.92 -1.228876181e+00 -1.228876181e+00 3.94 -1.191917556e+00 -1.191917556e+00 3.96 -1.155984071e+00 -1.155984071e+00 3.98 -1.121030108e+00 -1.121030108e+00 4.00 -1.087015347e+00 -1.087015347e+00 4.02 -1.053905595e+00 -1.053905595e+00 4.04 -1.021673207e+00 -1.021673207e+00 4.06 -9.902970906e-01 -9.902970906e-01 4.08 -9.597622855e-01 -9.597622855e-01 4.10 -9.300567527e-01 -9.300567527e-01 4.12 -9.011800386e-01 -9.011800386e-01 4.14 -8.731261707e-01 -8.731261707e-01 4.16 -8.458928857e-01 -8.458928857e-01 4.18 -8.194770228e-01 -8.194770228e-01 4.20 -7.938729908e-01 -7.938729908e-01 4.22 -7.690715707e-01 -7.690715707e-01 4.24 -7.450591612e-01 -7.450591612e-01 4.26 -7.218175064e-01 -7.218175064e-01 4.28 -6.993238735e-01 -6.993238735e-01 4.30 -6.775515928e-01 -6.775515928e-01 4.32 -6.564708415e-01 -6.564708415e-01 4.34 -6.360495462e-01 -6.360495462e-01 4.36 -6.162542960e-01 -6.162542960e-01 4.38 -5.970511846e-01 -5.970511846e-01 4.40 -5.784065354e-01 -5.784065354e-01 4.42 -5.602874892e-01 -5.602874892e-01 4.44 -5.426624615e-01 -5.426624615e-01 4.46 -5.255014904e-01 -5.255014904e-01 4.48 -5.087765023e-01 -5.087765023e-01 4.50 -4.924615281e-01 -4.924615281e-01 4.52 -4.765328974e-01 -4.765328974e-01 4.54 -4.609694308e-01 -4.609694308e-01 4.56 -4.457526451e-01 -4.457526451e-01 4.58 -4.308669727e-01 -4.308669727e-01 4.60 -4.162999862e-01 -4.162999862e-01 4.62 -4.020426098e-01 -4.020426098e-01 4.64 -3.880892842e-01 -3.880892842e-01 4.66 -3.744380504e-01 -3.744380504e-01 4.68 -3.610905083e-01 -3.610905083e-01 4.70 -3.480516140e-01 -3.480516140e-01 4.72 -3.353292858e-01 -3.353292858e-01 4.74 -3.229338101e-01 -3.229338101e-01 4.76 -3.108770598e-01 -3.108770598e-01 4.78 -2.991715659e-01 -2.991715659e-01 4.80 -2.878279747e-01 -2.878279747e-01 4.82 -2.768604085e-01 -2.768604085e-01 4.84 -2.662755842e-01 -2.662755842e-01 4.86 -2.560790026e-01 -2.560790026e-01 4.88 -2.462726086e-01 -2.462726086e-01 4.90 -2.368545385e-01 -2.368545385e-01 4.92 -2.278191373e-01 -2.278191373e-01 4.94 -2.191572184e-01 -2.191572184e-01 4.96 -2.108565198e-01 -2.108565198e-01 4.98 -2.029022964e-01 -2.029022964e-01 5.00 -1.952779883e-01 -1.952779883e-01 5.02 -1.879659020e-01 -1.879659020e-01 5.04 -1.809478709e-01 -1.809478709e-01 5.06 -1.742058524e-01 -1.742058524e-01 5.08 -1.677224419e-01 -1.677224419e-01 5.10 -1.614812925e-01 -1.614812925e-01 5.12 -1.554674396e-01 -1.554674396e-01 5.14 -1.496675242e-01 -1.496675242e-01 5.16 -1.440699254e-01 -1.440699254e-01 5.18 -1.386648056e-01 -1.386648056e-01 5.20 -1.334440727e-01 -1.334440727e-01 5.22 -1.284012679e-01 -1.284012679e-01 5.24 -1.235313855e-01 -1.235313855e-01 5.26 -1.188306382e-01 -1.188306382e-01 5.28 -1.142960564e-01 -1.142960564e-01 5.30 -1.099248070e-01 -1.099248070e-01 5.32 -1.057152361e-01 -1.057152361e-01 5.34 -1.016657940e-01 -1.016657940e-01 5.36 -9.777462046e-02 -9.777462046e-02 5.38 -9.403933696e-02 -9.403933696e-02 5.40 -9.045689653e-02 -9.045689653e-02 5.42 -8.702349693e-02 -8.702349693e-02 5.44 -8.373455567e-02 -8.373455567e-02 5.46 -8.058474078e-02 -8.058474078e-02 5.48 -7.756804694e-02 -7.756804694e-02 5.50 -7.467790440e-02 -7.467790440e-02 5.52 -7.190730783e-02 -7.190730783e-02 5.54 -6.924895301e-02 -6.924895301e-02 5.56 -6.669537145e-02 -6.669537145e-02 5.58 -6.423905547e-02 -6.423905547e-02 5.60 -6.187256890e-02 -6.187256890e-02 5.62 -5.958864117e-02 -5.958864117e-02 5.64 -5.738024430e-02 -5.738024430e-02 5.66 -5.524065424e-02 -5.524065424e-02 5.68 -5.316349849e-02 -5.316349849e-02 5.70 -5.114279296e-02 -5.114279296e-02 5.72 -4.917297091e-02 -4.917297091e-02 5.74 -4.724890673e-02 -4.724890673e-02 5.76 -4.536593713e-02 -4.536593713e-02 5.78 -4.351988171e-02 -4.351988171e-02 5.80 -4.170706322e-02 -4.170706322e-02 5.82 -3.992433022e-02 -3.992433022e-02 5.84 -3.816908057e-02 -3.816908057e-02 5.86 -3.643928544e-02 -3.643928544e-02 5.88 -3.473351212e-02 -3.473351212e-02 5.90 -3.305094380e-02 -3.305094380e-02 5.92 -3.139139340e-02 -3.139139340e-02 5.94 -2.975530840e-02 -2.975530840e-02 5.96 -2.814376343e-02 -2.814376343e-02 5.98 -2.655843848e-02 -2.655843848e-02 6.00 -2.500157735e-02 -2.500157735e-02