# 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 = Al2MgZr # 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 2.171135457e+02 2.171135457e+02 1.30 2.019784532e+02 2.019784532e+02 1.32 1.879315850e+02 1.879315850e+02 1.34 1.748876312e+02 1.748876312e+02 1.36 1.627682692e+02 1.627682692e+02 1.38 1.515032542e+02 1.515032542e+02 1.40 1.410297300e+02 1.410297300e+02 1.42 1.312898569e+02 1.312898569e+02 1.44 1.222284264e+02 1.222284264e+02 1.46 1.137918760e+02 1.137918760e+02 1.48 1.059292848e+02 1.059292848e+02 1.50 9.859453163e+01 9.859453163e+01 1.52 9.174782604e+01 9.174782604e+01 1.54 8.535534407e+01 8.535534407e+01 1.56 7.938764644e+01 7.938764644e+01 1.58 7.381799738e+01 7.381799738e+01 1.60 6.862115557e+01 6.862115557e+01 1.62 6.377257534e+01 6.377257534e+01 1.64 5.924802659e+01 5.924802659e+01 1.66 5.502362150e+01 5.502362150e+01 1.68 5.107630906e+01 5.107630906e+01 1.70 4.738471903e+01 4.738471903e+01 1.72 4.393020551e+01 4.393020551e+01 1.74 4.069619086e+01 4.069619086e+01 1.76 3.766783307e+01 3.766783307e+01 1.78 3.483169590e+01 3.483169590e+01 1.80 3.217540696e+01 3.217540696e+01 1.82 2.968996894e+01 2.968996894e+01 1.84 2.736579989e+01 2.736579989e+01 1.86 2.519270995e+01 2.519270995e+01 1.88 2.316124593e+01 2.316124593e+01 1.90 2.126261827e+01 2.126261827e+01 1.92 1.948855874e+01 1.948855874e+01 1.94 1.783113426e+01 1.783113426e+01 1.96 1.628263942e+01 1.628263942e+01 1.98 1.483562374e+01 1.483562374e+01 2.00 1.348304113e+01 1.348304113e+01 2.02 1.221843061e+01 1.221843061e+01 2.04 1.103603184e+01 1.103603184e+01 2.06 9.930766716e+00 9.930766716e+00 2.08 8.898089659e+00 8.898089659e+00 2.10 7.933806169e+00 7.933806169e+00 2.12 7.033911545e+00 7.033911545e+00 2.14 6.194512163e+00 6.194512163e+00 2.16 5.411819837e+00 5.411819837e+00 2.18 4.682178497e+00 4.682178497e+00 2.20 4.002109212e+00 4.002109212e+00 2.22 3.368333628e+00 3.368333628e+00 2.24 2.777795684e+00 2.777795684e+00 2.26 2.227681531e+00 2.227681531e+00 2.28 1.715422271e+00 1.715422271e+00 2.30 1.238722009e+00 1.238722009e+00 2.32 7.955276682e-01 7.955276682e-01 2.34 3.840156698e-01 3.840156698e-01 2.36 2.544405282e-03 2.544405282e-03 2.38 -3.503903538e-01 -3.503903538e-01 2.40 -6.762018002e-01 -6.762018002e-01 2.42 -9.762583234e-01 -9.762583234e-01 2.44 -1.251912078e+00 -1.251912078e+00 2.46 -1.504523455e+00 -1.504523455e+00 2.48 -1.735467505e+00 -1.735467505e+00 2.50 -1.946186287e+00 -1.946186287e+00 2.52 -2.138045603e+00 -2.138045603e+00 2.54 -2.312374308e+00 -2.312374308e+00 2.56 -2.470519058e+00 -2.470519058e+00 2.58 -2.613841658e+00 -2.613841658e+00 2.60 -2.743704604e+00 -2.743704604e+00 2.62 -2.861437572e+00 -2.861437572e+00 2.64 -2.968293605e+00 -2.968293605e+00 2.66 -3.065306230e+00 -3.065306230e+00 2.68 -3.153258295e+00 -3.153258295e+00 2.70 -3.232799141e+00 -3.232799141e+00 2.72 -3.304456785e+00 -3.304456785e+00 2.74 -3.368656412e+00 -3.368656412e+00 2.76 -3.425746321e+00 -3.425746321e+00 2.78 -3.476021032e+00 -3.476021032e+00 2.80 -3.519748940e+00 -3.519748940e+00 2.82 -3.557172467e+00 -3.557172467e+00 2.84 -3.588525758e+00 -3.588525758e+00 2.86 -3.614037469e+00 -3.614037469e+00 2.88 -3.633934703e+00 -3.633934703e+00 2.90 -3.648446507e+00 -3.648446507e+00 2.92 -3.657807514e+00 -3.657807514e+00 2.94 -3.662655206e+00 -3.662655206e+00 2.96 -3.664139208e+00 -3.664139208e+00 2.98 -3.662191687e+00 -3.662191687e+00 3.00 -3.656745203e+00 -3.656745203e+00 3.02 -3.647802791e+00 -3.647802791e+00 3.04 -3.635430205e+00 -3.635430205e+00 3.06 -3.619757161e+00 -3.619757161e+00 3.08 -3.600951913e+00 -3.600951913e+00 3.10 -3.579218211e+00 -3.579218211e+00 3.12 -3.554779599e+00 -3.554779599e+00 3.14 -3.527887116e+00 -3.527887116e+00 3.16 -3.498780094e+00 -3.498780094e+00 3.18 -3.467677336e+00 -3.467677336e+00 3.20 -3.434772939e+00 -3.434772939e+00 3.22 -3.400238107e+00 -3.400238107e+00 3.24 -3.364225930e+00 -3.364225930e+00 3.26 -3.326877602e+00 -3.326877602e+00 3.28 -3.288328330e+00 -3.288328330e+00 3.30 -3.248711343e+00 -3.248711343e+00 3.32 -3.208158971e+00 -3.208158971e+00 3.34 -3.166800773e+00 -3.166800773e+00 3.36 -3.124759684e+00 -3.124759684e+00 3.38 -3.082147831e+00 -3.082147831e+00 3.40 -3.039062561e+00 -3.039062561e+00 3.42 -2.995589830e+00 -2.995589830e+00 3.44 -2.951798803e+00 -2.951798803e+00 3.46 -2.907749416e+00 -2.907749416e+00 3.48 -2.863494394e+00 -2.863494394e+00 3.50 -2.819082234e+00 -2.819082234e+00 3.52 -2.774559379e+00 -2.774559379e+00 3.54 -2.729971410e+00 -2.729971410e+00 3.56 -2.685363369e+00 -2.685363369e+00 3.58 -2.640779448e+00 -2.640779448e+00 3.60 -2.596268074e+00 -2.596268074e+00 3.62 -2.551876571e+00 -2.551876571e+00 3.64 -2.507633059e+00 -2.507633059e+00 3.66 -2.463563117e+00 -2.463563117e+00 3.68 -2.419689702e+00 -2.419689702e+00 3.70 -2.376033027e+00 -2.376033027e+00 3.72 -2.332610843e+00 -2.332610843e+00 3.74 -2.289439107e+00 -2.289439107e+00 3.76 -2.246532979e+00 -2.246532979e+00 3.78 -2.203908016e+00 -2.203908016e+00 3.80 -2.161581244e+00 -2.161581244e+00 3.82 -2.119567600e+00 -2.119567600e+00 3.84 -2.077874353e+00 -2.077874353e+00 3.86 -2.036512232e+00 -2.036512232e+00 3.88 -1.995495544e+00 -1.995495544e+00 3.90 -1.954839830e+00 -1.954839830e+00 3.92 -1.914558213e+00 -1.914558213e+00 3.94 -1.874662733e+00 -1.874662733e+00 3.96 -1.835156184e+00 -1.835156184e+00 3.98 -1.796035450e+00 -1.796035450e+00 4.00 -1.757290406e+00 -1.757290406e+00 4.02 -1.718904924e+00 -1.718904924e+00 4.04 -1.680858569e+00 -1.680858569e+00 4.06 -1.643128652e+00 -1.643128652e+00 4.08 -1.605692376e+00 -1.605692376e+00 4.10 -1.568524704e+00 -1.568524704e+00 4.12 -1.531617818e+00 -1.531617818e+00 4.14 -1.494955145e+00 -1.494955145e+00 4.16 -1.458532397e+00 -1.458532397e+00 4.18 -1.422353757e+00 -1.422353757e+00 4.20 -1.386433010e+00 -1.386433010e+00 4.22 -1.350794330e+00 -1.350794330e+00 4.24 -1.315472569e+00 -1.315472569e+00 4.26 -1.280512900e+00 -1.280512900e+00 4.28 -1.245969644e+00 -1.245969644e+00 4.30 -1.211904261e+00 -1.211904261e+00 4.32 -1.178382517e+00 -1.178382517e+00 4.34 -1.145471031e+00 -1.145471031e+00 4.36 -1.113233497e+00 -1.113233497e+00 4.38 -1.081726949e+00 -1.081726949e+00 4.40 -1.050998476e+00 -1.050998476e+00 4.42 -1.021082697e+00 -1.021082697e+00 4.44 -9.920002062e-01 -9.920002062e-01 4.46 -9.637570659e-01 -9.637570659e-01 4.48 -9.363452451e-01 -9.363452451e-01 4.50 -9.097438373e-01 -9.097438373e-01 4.52 -8.839208074e-01 -8.839208074e-01 4.54 -8.588350209e-01 -8.588350209e-01 4.56 -8.344383385e-01 -8.344383385e-01 4.58 -8.106776135e-01 -8.106776135e-01 4.60 -7.874964936e-01 -7.874964936e-01 4.62 -7.648369855e-01 -7.648369855e-01 4.64 -7.426407874e-01 -7.426407874e-01 4.66 -7.208504273e-01 -7.208504273e-01 4.68 -6.994102627e-01 -6.994102627e-01 4.70 -6.782674025e-01 -6.782674025e-01 4.72 -6.573726099e-01 -6.573726099e-01 4.74 -6.366812328e-01 -6.366812328e-01 4.76 -6.161541899e-01 -6.161541899e-01 4.78 -5.957590230e-01 -5.957590230e-01 4.80 -5.754677979e-01 -5.754677979e-01 4.82 -5.552715301e-01 -5.552715301e-01 4.84 -5.351603252e-01 -5.351603252e-01 4.86 -5.151388395e-01 -5.151388395e-01 4.88 -4.952230015e-01 -4.952230015e-01 4.90 -4.754401688e-01 -4.754401688e-01 4.92 -4.558287565e-01 -4.558287565e-01 4.94 -4.364372542e-01 -4.364372542e-01 4.96 -4.173225968e-01 -4.173225968e-01 4.98 -3.985479222e-01 -3.985479222e-01 5.00 -3.801798227e-01 -3.801798227e-01 5.02 -3.622852705e-01 -3.622852705e-01 5.04 -3.449284459e-01 -3.449284459e-01 5.06 -3.281677254e-01 -3.281677254e-01 5.08 -3.120530729e-01 -3.120530729e-01 5.10 -2.966240319e-01 -2.966240319e-01 5.12 -2.819084474e-01 -2.819084474e-01 5.14 -2.679219609e-01 -2.679219609e-01 5.16 -2.546682435e-01 -2.546682435e-01 5.18 -2.421398619e-01 -2.421398619e-01 5.20 -2.303196339e-01 -2.303196339e-01 5.22 -2.191823065e-01 -2.191823065e-01 5.24 -2.086963957e-01 -2.086963957e-01 5.26 -1.988260466e-01 -1.988260466e-01 5.28 -1.895328022e-01 -1.895328022e-01 5.30 -1.807771982e-01 -1.807771982e-01 5.32 -1.725201354e-01 -1.725201354e-01 5.34 -1.647240002e-01 -1.647240002e-01 5.36 -1.573535281e-01 -1.573535281e-01 5.38 -1.503764118e-01 -1.503764118e-01 5.40 -1.437636634e-01 -1.437636634e-01 5.42 -1.374895892e-01 -1.374895892e-01 5.44 -1.315320866e-01 -1.315320866e-01 5.46 -1.258723160e-01 -1.258723160e-01 5.48 -1.204941732e-01 -1.204941732e-01 5.50 -1.153838383e-01 -1.153838383e-01 5.52 -1.105292638e-01 -1.105292638e-01 5.54 -1.059196338e-01 -1.059196338e-01 5.56 -1.015448784e-01 -1.015448784e-01 5.58 -9.739524700e-02 -9.739524700e-02 5.60 -9.346097521e-02 -9.346097521e-02 5.62 -8.973197948e-02 -8.973197948e-02 5.64 -8.619716579e-02 -8.619716579e-02 5.66 -8.284611515e-02 -8.284611515e-02 5.68 -7.966817769e-02 -7.966817769e-02 5.70 -7.665228937e-02 -7.665228937e-02 5.72 -7.378716762e-02 -7.378716762e-02 5.74 -7.106150258e-02 -7.106150258e-02 5.76 -6.846412943e-02 -6.846412943e-02 5.78 -6.598417281e-02 -6.598417281e-02 5.80 -6.361115918e-02 -6.361115918e-02 5.82 -6.133509740e-02 -6.133509740e-02 5.84 -5.914653036e-02 -5.914653036e-02 5.86 -5.703656244e-02 -5.703656244e-02 5.88 -5.499686820e-02 -5.499686820e-02 5.90 -5.301968817e-02 -5.301968817e-02 5.92 -5.109781701e-02 -5.109781701e-02 5.94 -4.922458886e-02 -4.922458886e-02 5.96 -4.739386406e-02 -4.739386406e-02 5.98 -4.560002047e-02 -4.560002047e-02 6.00 -4.383795199e-02 -4.383795199e-02