# 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 = Ni2PtW # 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 2.595464367e+02 2.595464367e+02 1.30 2.399394113e+02 2.399394113e+02 1.32 2.217199098e+02 2.217199098e+02 1.34 2.048141010e+02 2.048141010e+02 1.36 1.891584747e+02 1.891584747e+02 1.38 1.746835301e+02 1.746835301e+02 1.40 1.613059195e+02 1.613059195e+02 1.42 1.489316343e+02 1.489316343e+02 1.44 1.374653198e+02 1.374653198e+02 1.46 1.268195924e+02 1.268195924e+02 1.48 1.169203781e+02 1.169203781e+02 1.50 1.077070707e+02 1.077070707e+02 1.52 9.912882239e+01 9.912882239e+01 1.54 9.113982066e+01 9.113982066e+01 1.56 8.369617711e+01 8.369617711e+01 1.58 7.675515811e+01 7.675515811e+01 1.60 7.027582610e+01 7.027582610e+01 1.62 6.422007928e+01 6.422007928e+01 1.64 5.855367843e+01 5.855367843e+01 1.66 5.324710765e+01 5.324710765e+01 1.68 4.827606711e+01 4.827606711e+01 1.70 4.362134984e+01 4.362134984e+01 1.72 3.926791562e+01 3.926791562e+01 1.74 3.520364637e+01 3.520364637e+01 1.76 3.141671799e+01 3.141671799e+01 1.78 2.790399373e+01 2.790399373e+01 1.80 2.470445193e+01 2.470445193e+01 1.82 2.179918213e+01 2.179918213e+01 1.84 1.915992232e+01 1.915992232e+01 1.86 1.676018252e+01 1.676018252e+01 1.88 1.457585039e+01 1.457585039e+01 1.90 1.258542883e+01 1.258542883e+01 1.92 1.077001407e+01 1.077001407e+01 1.94 9.113135615e+00 9.113135615e+00 1.96 7.600529674e+00 7.600529674e+00 1.98 6.219866373e+00 6.219866373e+00 2.00 4.960430722e+00 4.960430722e+00 2.02 3.812772053e+00 3.812772053e+00 2.04 2.768365073e+00 2.768365073e+00 2.06 1.819332710e+00 1.819332710e+00 2.08 9.582583275e-01 9.582583275e-01 2.10 1.780861359e-01 1.780861359e-01 2.12 -5.279061430e-01 -5.279061430e-01 2.14 -1.166080474e+00 -1.166080474e+00 2.16 -1.742377653e+00 -1.742377653e+00 2.18 -2.262248421e+00 -2.262248421e+00 2.20 -2.730604599e+00 -2.730604599e+00 2.22 -3.151808837e+00 -3.151808837e+00 2.24 -3.529705033e+00 -3.529705033e+00 2.26 -3.867679485e+00 -3.867679485e+00 2.28 -4.168740909e+00 -4.168740909e+00 2.30 -4.435608419e+00 -4.435608419e+00 2.32 -4.670710621e+00 -4.670710621e+00 2.34 -4.876494313e+00 -4.876494313e+00 2.36 -5.055392405e+00 -5.055392405e+00 2.38 -5.209733542e+00 -5.209733542e+00 2.40 -5.341723384e+00 -5.341723384e+00 2.42 -5.453417739e+00 -5.453417739e+00 2.44 -5.546706529e+00 -5.546706529e+00 2.46 -5.623254662e+00 -5.623254662e+00 2.48 -5.684369686e+00 -5.684369686e+00 2.50 -5.732403451e+00 -5.732403451e+00 2.52 -5.768837588e+00 -5.768837588e+00 2.54 -5.794371223e+00 -5.794371223e+00 2.56 -5.809718703e+00 -5.809718703e+00 2.58 -5.815559185e+00 -5.815559185e+00 2.60 -5.812496562e+00 -5.812496562e+00 2.62 -5.801039384e+00 -5.801039384e+00 2.64 -5.781604025e+00 -5.781604025e+00 2.66 -5.754536345e+00 -5.754536345e+00 2.68 -5.720142636e+00 -5.720142636e+00 2.70 -5.678717627e+00 -5.678717627e+00 2.72 -5.630562573e+00 -5.630562573e+00 2.74 -5.575997621e+00 -5.575997621e+00 2.76 -5.515357107e+00 -5.515357107e+00 2.78 -5.448977421e+00 -5.448977421e+00 2.80 -5.377184210e+00 -5.377184210e+00 2.82 -5.300285374e+00 -5.300285374e+00 2.84 -5.218574123e+00 -5.218574123e+00 2.86 -5.132274895e+00 -5.132274895e+00 2.88 -5.041487414e+00 -5.041487414e+00 2.90 -4.946385563e+00 -4.946385563e+00 2.92 -4.847261782e+00 -4.847261782e+00 2.94 -4.744534634e+00 -4.744534634e+00 2.96 -4.638744502e+00 -4.638744502e+00 2.98 -4.530533640e+00 -4.530533640e+00 3.00 -4.420610347e+00 -4.420610347e+00 3.02 -4.309701471e+00 -4.309701471e+00 3.04 -4.198501103e+00 -4.198501103e+00 3.06 -4.087624586e+00 -4.087624586e+00 3.08 -3.977596887e+00 -3.977596887e+00 3.10 -3.869098685e+00 -3.869098685e+00 3.12 -3.762736112e+00 -3.762736112e+00 3.14 -3.658794901e+00 -3.658794901e+00 3.16 -3.557318921e+00 -3.557318921e+00 3.18 -3.458189409e+00 -3.458189409e+00 3.20 -3.361190757e+00 -3.361190757e+00 3.22 -3.266061206e+00 -3.266061206e+00 3.24 -3.172529658e+00 -3.172529658e+00 3.26 -3.080341124e+00 -3.080341124e+00 3.28 -2.989273660e+00 -2.989273660e+00 3.30 -2.899149258e+00 -2.899149258e+00 3.32 -2.809840590e+00 -2.809840590e+00 3.34 -2.721274818e+00 -2.721274818e+00 3.36 -2.633435090e+00 -2.633435090e+00 3.38 -2.546359921e+00 -2.546359921e+00 3.40 -2.460140345e+00 -2.460140345e+00 3.42 -2.374914684e+00 -2.374914684e+00 3.44 -2.290860819e+00 -2.290860819e+00 3.46 -2.208186122e+00 -2.208186122e+00 3.48 -2.127115494e+00 -2.127115494e+00 3.50 -2.047878257e+00 -2.047878257e+00 3.52 -1.970694895e+00 -1.970694895e+00 3.54 -1.895764741e+00 -1.895764741e+00 3.56 -1.823255582e+00 -1.823255582e+00 3.58 -1.753295992e+00 -1.753295992e+00 3.60 -1.685970801e+00 -1.685970801e+00 3.62 -1.621319788e+00 -1.621319788e+00 3.64 -1.559339348e+00 -1.559339348e+00 3.66 -1.499986619e+00 -1.499986619e+00 3.68 -1.443185464e+00 -1.443185464e+00 3.70 -1.388833604e+00 -1.388833604e+00 3.72 -1.336810310e+00 -1.336810310e+00 3.74 -1.286984053e+00 -1.286984053e+00 3.76 -1.239219667e+00 -1.239219667e+00 3.78 -1.193384601e+00 -1.193384601e+00 3.80 -1.149353929e+00 -1.149353929e+00 3.82 -1.107013842e+00 -1.107013842e+00 3.84 -1.066263428e+00 -1.066263428e+00 3.86 -1.027014709e+00 -1.027014709e+00 3.88 -9.891910661e-01 -9.891910661e-01 3.90 -9.527244258e-01 -9.527244258e-01 3.92 -9.175517597e-01 -9.175517597e-01 3.94 -8.836115773e-01 -8.836115773e-01 3.96 -8.508410515e-01 -8.508410515e-01 3.98 -8.191743158e-01 -8.191743158e-01 4.00 -7.885421728e-01 -7.885421728e-01 4.02 -7.588732096e-01 -7.588732096e-01 4.04 -7.300960654e-01 -7.300960654e-01 4.06 -7.021424340e-01 -7.021424340e-01 4.08 -6.749503165e-01 -6.749503165e-01 4.10 -6.484670407e-01 -6.484670407e-01 4.12 -6.226516437e-01 -6.226516437e-01 4.14 -5.974762394e-01 -5.974762394e-01 4.16 -5.729262283e-01 -5.729262283e-01 4.18 -5.489992295e-01 -5.489992295e-01 4.20 -5.257028505e-01 -5.257028505e-01 4.22 -5.030515556e-01 -5.030515556e-01 4.24 -4.810630357e-01 -4.810630357e-01 4.26 -4.597545709e-01 -4.597545709e-01 4.28 -4.391398779e-01 -4.391398779e-01 4.30 -4.192268411e-01 -4.192268411e-01 4.32 -4.000163596e-01 -4.000163596e-01 4.34 -3.815023345e-01 -3.815023345e-01 4.36 -3.636726243e-01 -3.636726243e-01 4.38 -3.465106469e-01 -3.465106469e-01 4.40 -3.299972320e-01 -3.299972320e-01 4.42 -3.141123341e-01 -3.141123341e-01 4.44 -2.988362942e-01 -2.988362942e-01 4.46 -2.841504597e-01 -2.841504597e-01 4.48 -2.700371223e-01 -2.700371223e-01 4.50 -2.564788721e-01 -2.564788721e-01 4.52 -2.434575779e-01 -2.434575779e-01 4.54 -2.309532649e-01 -2.309532649e-01 4.56 -2.189431654e-01 -2.189431654e-01 4.58 -2.074011718e-01 -2.074011718e-01 4.60 -1.962978352e-01 -1.962978352e-01 4.62 -1.856009530e-01 -1.856009530e-01 4.64 -1.752766908e-01 -1.752766908e-01 4.66 -1.652911254e-01 -1.652911254e-01 4.68 -1.556120265e-01 -1.556120265e-01 4.70 -1.462106733e-01 -1.462106733e-01 4.72 -1.370635814e-01 -1.370635814e-01 4.74 -1.281546221e-01 -1.281546221e-01 4.76 -1.194739474e-01 -1.194739474e-01 4.78 -1.110198650e-01 -1.110198650e-01 4.80 -1.027990057e-01 -1.027990057e-01 4.82 -9.482527545e-02 -9.482527545e-02 4.84 -8.711854732e-02 -8.711854732e-02 4.86 -7.970292531e-02 -7.970292531e-02 4.88 -7.260471271e-02 -7.260471271e-02 4.90 -6.585026440e-02 -6.585026440e-02 4.92 -5.946391332e-02 -5.946391332e-02 4.94 -5.346615139e-02 -5.346615139e-02 4.96 -4.787220971e-02 -4.787220971e-02 4.98 -4.269112946e-02 -4.269112946e-02 5.00 -3.792535298e-02 -3.792535298e-02 5.02 -3.357080556e-02 -3.357080556e-02 5.04 -2.961739118e-02 -2.961739118e-02 5.06 -2.604979648e-02 -2.604979648e-02 5.08 -2.284848521e-02 -2.284848521e-02 5.10 -1.999077078e-02 -1.999077078e-02 5.12 -1.745187856e-02 -1.745187856e-02 5.14 -1.520592186e-02 -1.520592186e-02 5.16 -1.322668589e-02 -1.322668589e-02 5.18 -1.148807007e-02 -1.148807007e-02 5.20 -9.965556060e-03 -9.965556060e-03 5.22 -8.635951789e-03 -8.635951789e-03 5.24 -7.477552922e-03 -7.477552922e-03 5.26 -6.470336591e-03 -6.470336591e-03 5.28 -5.596048402e-03 -5.596048402e-03 5.30 -4.838209180e-03 -4.838209180e-03 5.32 -4.182064198e-03 -4.182064198e-03 5.34 -3.614493571e-03 -3.614493571e-03 5.36 -3.123898589e-03 -3.123898589e-03 5.38 -2.700075267e-03 -2.700075267e-03 5.40 -2.334083388e-03 -2.334083388e-03 5.42 -2.018116928e-03 -2.018116928e-03 5.44 -1.745379805e-03 -1.745379805e-03 5.46 -1.509969433e-03 -1.509969433e-03 5.48 -1.306769474e-03 -1.306769474e-03 5.50 -1.131352391e-03 -1.131352391e-03 5.52 -9.798918418e-04 -9.798918418e-04 5.54 -8.490846127e-04 -8.490846127e-04 5.56 -7.360815249e-04 -7.360815249e-04 5.58 -6.384266392e-04 -6.384266392e-04 5.60 -5.540040149e-04 -5.540040149e-04 5.62 -4.809912628e-04 -4.809912628e-04 5.64 -4.178191580e-04 -4.178191580e-04 5.66 -3.631366131e-04 -3.631366131e-04 5.68 -3.157803676e-04 -3.157803676e-04 5.70 -2.747488052e-04 -2.747488052e-04 5.72 -2.391793690e-04 -2.391793690e-04 5.74 -2.083291047e-04 -2.083291047e-04 5.76 -1.815579114e-04 -1.815579114e-04 5.78 -1.583141366e-04 -1.583141366e-04 5.80 -1.381221920e-04 -1.381221920e-04 5.82 -1.205719115e-04 -1.205719115e-04 5.84 -1.053094086e-04 -1.053094086e-04 5.86 -9.202922358e-05 -9.202922358e-05 5.88 -8.046757769e-05 -8.046757769e-05 5.90 -7.039657930e-05 -7.039657930e-05 5.92 -6.161924638e-05 -6.161924638e-05 5.94 -5.396522982e-05 -5.396522982e-05 5.96 -4.728713808e-05 -4.728713808e-05 5.98 -4.145737768e-05 -4.145737768e-05 6.00 -3.636543635e-05 -3.636543635e-05