# 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 = Cu2PbW # 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 2.676021294e+02 2.676021294e+02 1.30 2.478780914e+02 2.478780914e+02 1.32 2.296161209e+02 2.296161209e+02 1.34 2.127144013e+02 2.127144013e+02 1.36 1.970761986e+02 1.970761986e+02 1.38 1.826061091e+02 1.826061091e+02 1.40 1.692100162e+02 1.692100162e+02 1.42 1.567978791e+02 1.567978791e+02 1.44 1.452866573e+02 1.452866573e+02 1.46 1.346015648e+02 1.346015648e+02 1.48 1.246757389e+02 1.246757389e+02 1.50 1.154492530e+02 1.154492530e+02 1.52 1.068681491e+02 1.068681491e+02 1.54 9.888359831e+01 9.888359831e+01 1.56 9.145114482e+01 9.145114482e+01 1.58 8.453016890e+01 8.453016890e+01 1.60 7.808369912e+01 7.808369912e+01 1.62 7.207848041e+01 7.207848041e+01 1.64 6.648494533e+01 6.648494533e+01 1.66 6.127688502e+01 6.127688502e+01 1.68 5.643113429e+01 5.643113429e+01 1.70 5.192657619e+01 5.192657619e+01 1.72 4.774269919e+01 4.774269919e+01 1.74 4.386114696e+01 4.386114696e+01 1.76 4.026814538e+01 4.026814538e+01 1.78 3.694306318e+01 3.694306318e+01 1.80 3.386455033e+01 3.386455033e+01 1.82 3.101198741e+01 3.101198741e+01 1.84 2.836606842e+01 2.836606842e+01 1.86 2.590938555e+01 2.590938555e+01 1.88 2.362671429e+01 2.362671429e+01 1.90 2.150493998e+01 2.150493998e+01 1.92 1.953274087e+01 1.953274087e+01 1.94 1.770018966e+01 1.770018966e+01 1.96 1.599838198e+01 1.599838198e+01 1.98 1.441915226e+01 1.441915226e+01 2.00 1.295486095e+01 1.295486095e+01 2.02 1.159823684e+01 1.159823684e+01 2.04 1.034226398e+01 1.034226398e+01 2.06 9.180116328e+00 9.180116328e+00 2.08 8.105139894e+00 8.105139894e+00 2.10 7.110880712e+00 7.110880712e+00 2.12 6.191145218e+00 6.191145218e+00 2.14 5.340075284e+00 5.340075284e+00 2.16 4.552223310e+00 4.552223310e+00 2.18 3.822608193e+00 3.822608193e+00 2.20 3.146738104e+00 3.146738104e+00 2.22 2.520602082e+00 2.520602082e+00 2.24 1.940656240e+00 1.940656240e+00 2.26 1.403817323e+00 1.403817323e+00 2.28 9.070752045e-01 9.070752045e-01 2.30 4.476627089e-01 4.476627089e-01 2.32 2.301543267e-02 2.301543267e-02 2.34 -3.692746585e-01 -3.692746585e-01 2.36 -7.314829625e-01 -7.314829625e-01 2.38 -1.065687443e+00 -1.065687443e+00 2.40 -1.373536484e+00 -1.373536484e+00 2.42 -1.656539868e+00 -1.656539868e+00 2.44 -1.916161592e+00 -1.916161592e+00 2.46 -2.153791415e+00 -2.153791415e+00 2.48 -2.370732775e+00 -2.370732775e+00 2.50 -2.568201451e+00 -2.568201451e+00 2.52 -2.747330527e+00 -2.747330527e+00 2.54 -2.909178559e+00 -2.909178559e+00 2.56 -3.054739087e+00 -3.054739087e+00 2.58 -3.184950745e+00 -3.184950745e+00 2.60 -3.300707803e+00 -3.300707803e+00 2.62 -3.402870570e+00 -3.402870570e+00 2.64 -3.492278371e+00 -3.492278371e+00 2.66 -3.569755028e+00 -3.569755028e+00 2.68 -3.636116778e+00 -3.636116778e+00 2.70 -3.692170719e+00 -3.692170719e+00 2.72 -3.738706574e+00 -3.738706574e+00 2.74 -3.776481835e+00 -3.776481835e+00 2.76 -3.806203557e+00 -3.806203557e+00 2.78 -3.828511441e+00 -3.828511441e+00 2.80 -3.844235407e+00 -3.844235407e+00 2.82 -3.853943702e+00 -3.853943702e+00 2.84 -3.857653639e+00 -3.857653639e+00 2.86 -3.855404094e+00 -3.855404094e+00 2.88 -3.847259180e+00 -3.847259180e+00 2.90 -3.833311011e+00 -3.833311011e+00 2.92 -3.813683464e+00 -3.813683464e+00 2.94 -3.788535948e+00 -3.788535948e+00 2.96 -3.758067135e+00 -3.758067135e+00 2.98 -3.722542574e+00 -3.722542574e+00 3.00 -3.682289158e+00 -3.682289158e+00 3.02 -3.637661489e+00 -3.637661489e+00 3.04 -3.589100826e+00 -3.589100826e+00 3.06 -3.536902128e+00 -3.536902128e+00 3.08 -3.481319781e+00 -3.481319781e+00 3.10 -3.422649187e+00 -3.422649187e+00 3.12 -3.361200269e+00 -3.361200269e+00 3.14 -3.297258594e+00 -3.297258594e+00 3.16 -3.231062376e+00 -3.231062376e+00 3.18 -3.162833247e+00 -3.162833247e+00 3.20 -3.092767838e+00 -3.092767838e+00 3.22 -3.021032722e+00 -3.021032722e+00 3.24 -2.947765554e+00 -2.947765554e+00 3.26 -2.873081357e+00 -2.873081357e+00 3.28 -2.797082694e+00 -2.797082694e+00 3.30 -2.719872254e+00 -2.719872254e+00 3.32 -2.641566204e+00 -2.641566204e+00 3.34 -2.562306620e+00 -2.562306620e+00 3.36 -2.482271411e+00 -2.482271411e+00 3.38 -2.401680434e+00 -2.401680434e+00 3.40 -2.320796762e+00 -2.320796762e+00 3.42 -2.239924150e+00 -2.239924150e+00 3.44 -2.159397464e+00 -2.159397464e+00 3.46 -2.079571738e+00 -2.079571738e+00 3.48 -2.000807307e+00 -2.000807307e+00 3.50 -1.923454101e+00 -1.923454101e+00 3.52 -1.847836430e+00 -1.847836430e+00 3.54 -1.774239740e+00 -1.774239740e+00 3.56 -1.702900527e+00 -1.702900527e+00 3.58 -1.634000159e+00 -1.634000159e+00 3.60 -1.567662833e+00 -1.567662833e+00 3.62 -1.503957459e+00 -1.503957459e+00 3.64 -1.442902841e+00 -1.442902841e+00 3.66 -1.384475284e+00 -1.384475284e+00 3.68 -1.328617640e+00 -1.328617640e+00 3.70 -1.275248831e+00 -1.275248831e+00 3.72 -1.224272986e+00 -1.224272986e+00 3.74 -1.175587518e+00 -1.175587518e+00 3.76 -1.129089657e+00 -1.129089657e+00 3.78 -1.084681147e+00 -1.084681147e+00 3.80 -1.042271024e+00 -1.042271024e+00 3.82 -1.001776533e+00 -1.001776533e+00 3.84 -9.631224256e-01 -9.631224256e-01 3.86 -9.262390131e-01 -9.262390131e-01 3.88 -8.910594605e-01 -8.910594605e-01 3.90 -8.575168746e-01 -8.575168746e-01 3.92 -8.255412023e-01 -8.255412023e-01 3.94 -7.950594611e-01 -7.950594611e-01 3.96 -7.659914952e-01 -7.659914952e-01 3.98 -7.382523646e-01 -7.382523646e-01 4.00 -7.117525997e-01 -7.117525997e-01 4.02 -6.863996407e-01 -6.863996407e-01 4.04 -6.620995479e-01 -6.620995479e-01 4.06 -6.387587246e-01 -6.387587246e-01 4.08 -6.162854721e-01 -6.162854721e-01 4.10 -5.945902655e-01 -5.945902655e-01 4.12 -5.735910221e-01 -5.735910221e-01 4.14 -5.532071886e-01 -5.532071886e-01 4.16 -5.333650688e-01 -5.333650688e-01 4.18 -5.139971377e-01 -5.139971377e-01 4.20 -4.950426206e-01 -4.950426206e-01 4.22 -4.764481573e-01 -4.764481573e-01 4.24 -4.581685879e-01 -4.581685879e-01 4.26 -4.401678584e-01 -4.401678584e-01 4.28 -4.224200036e-01 -4.224200036e-01 4.30 -4.049101159e-01 -4.049101159e-01 4.32 -3.876351667e-01 -3.876351667e-01 4.34 -3.706045130e-01 -3.706045130e-01 4.36 -3.538399058e-01 -3.538399058e-01 4.38 -3.373748332e-01 -3.373748332e-01 4.40 -3.212530775e-01 -3.212530775e-01 4.42 -3.055264561e-01 -3.055264561e-01 4.44 -2.902518246e-01 -2.902518246e-01 4.46 -2.754875463e-01 -2.754875463e-01 4.48 -2.612897325e-01 -2.612897325e-01 4.50 -2.477086207e-01 -2.477086207e-01 4.52 -2.347854546e-01 -2.347854546e-01 4.54 -2.225501642e-01 -2.225501642e-01 4.56 -2.110200321e-01 -2.110200321e-01 4.58 -2.001993835e-01 -2.001993835e-01 4.60 -1.900802159e-01 -1.900802159e-01 4.62 -1.806435880e-01 -1.806435880e-01 4.64 -1.718615059e-01 -1.718615059e-01 4.66 -1.636990498e-01 -1.636990498e-01 4.68 -1.561165309e-01 -1.561165309e-01 4.70 -1.490714975e-01 -1.490714975e-01 4.72 -1.425198331e-01 -1.425198331e-01 4.74 -1.364185348e-01 -1.364185348e-01 4.76 -1.307265549e-01 -1.307265549e-01 4.78 -1.254047651e-01 -1.254047651e-01 4.80 -1.204157829e-01 -1.204157829e-01 4.82 -1.157276291e-01 -1.157276291e-01 4.84 -1.113086798e-01 -1.113086798e-01 4.86 -1.071312632e-01 -1.071312632e-01 4.88 -1.031705925e-01 -1.031705925e-01 4.90 -9.940458667e-02 -9.940458667e-02 4.92 -9.581365792e-02 -9.581365792e-02 4.94 -9.238048896e-02 -9.238048896e-02 4.96 -8.908981435e-02 -8.908981435e-02 4.98 -8.592821595e-02 -8.592821595e-02 5.00 -8.288393851e-02 -8.288393851e-02 5.02 -7.994672812e-02 -7.994672812e-02 5.04 -7.710769411e-02 -7.710769411e-02 5.06 -7.435919319e-02 -7.435919319e-02 5.08 -7.169473304e-02 -7.169473304e-02 5.10 -6.910889146e-02 -6.910889146e-02 5.12 -6.659724664e-02 -6.659724664e-02 5.14 -6.415631280e-02 -6.415631280e-02 5.16 -6.178347574e-02 -6.178347574e-02 5.18 -5.947692263e-02 -5.947692263e-02 5.20 -5.723556122e-02 -5.723556122e-02 5.22 -5.505892500e-02 -5.505892500e-02 5.24 -5.294706238e-02 -5.294706238e-02 5.26 -5.090040368e-02 -5.090040368e-02 5.28 -4.891955029e-02 -4.891955029e-02 5.30 -4.700530506e-02 -4.700530506e-02 5.32 -4.515846189e-02 -4.515846189e-02 5.34 -4.337963275e-02 -4.337963275e-02 5.36 -4.166912938e-02 -4.166912938e-02 5.38 -4.002686961e-02 -4.002686961e-02 5.40 -3.845231317e-02 -3.845231317e-02 5.42 -3.694442926e-02 -3.694442926e-02 5.44 -3.550169502e-02 -3.550169502e-02 5.46 -3.412212173e-02 -3.412212173e-02 5.48 -3.280330334e-02 -3.280330334e-02 5.50 -3.154248103e-02 -3.154248103e-02 5.52 -3.033661721e-02 -3.033661721e-02 5.54 -2.918247277e-02 -2.918247277e-02 5.56 -2.807668255e-02 -2.807668255e-02 5.58 -2.701582505e-02 -2.701582505e-02 5.60 -2.599648409e-02 -2.599648409e-02 5.62 -2.501530108e-02 -2.501530108e-02 5.64 -2.406901761e-02 -2.406901761e-02 5.66 -2.315450926e-02 -2.315450926e-02 5.68 -2.226881160e-02 -2.226881160e-02 5.70 -2.140913976e-02 -2.140913976e-02 5.72 -2.057290317e-02 -2.057290317e-02 5.74 -1.975771690e-02 -1.975771690e-02 5.76 -1.896141084e-02 -1.896141084e-02 5.78 -1.818203793e-02 -1.818203793e-02 5.80 -1.741788198e-02 -1.741788198e-02 5.82 -1.666746579e-02 -1.666746579e-02 5.84 -1.592955945e-02 -1.592955945e-02 5.86 -1.520318873e-02 -1.520318873e-02 5.88 -1.448764308e-02 -1.448764308e-02 5.90 -1.378248219e-02 -1.378248219e-02 5.92 -1.308754025e-02 -1.308754025e-02 5.94 -1.240291522e-02 -1.240291522e-02 5.96 -1.172892360e-02 -1.172892360e-02 5.98 -1.106621062e-02 -1.106621062e-02 6.00 -1.041567551e-02 -1.041567551e-02