# 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 = Al2MoPd # 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 1.798019706e+02 1.798019706e+02 1.30 1.669687929e+02 1.669687929e+02 1.32 1.550420280e+02 1.550420280e+02 1.34 1.439591525e+02 1.439591525e+02 1.36 1.336627170e+02 1.336627170e+02 1.38 1.240968876e+02 1.240968876e+02 1.40 1.152061996e+02 1.152061996e+02 1.42 1.069364375e+02 1.069364375e+02 1.44 9.923642663e+01 9.923642663e+01 1.46 9.205953581e+01 9.205953581e+01 1.48 8.536428245e+01 8.536428245e+01 1.50 7.911397506e+01 7.911397506e+01 1.52 7.327580675e+01 7.327580675e+01 1.54 6.781997434e+01 6.781997434e+01 1.56 6.271910453e+01 6.271910453e+01 1.58 5.794794144e+01 5.794794144e+01 1.60 5.348318610e+01 5.348318610e+01 1.62 4.930344046e+01 4.930344046e+01 1.64 4.538922387e+01 4.538922387e+01 1.66 4.172441044e+01 4.172441044e+01 1.68 3.829779247e+01 3.829779247e+01 1.70 3.510867201e+01 3.510867201e+01 1.72 3.214312743e+01 3.214312743e+01 1.74 2.938757846e+01 2.938757846e+01 1.76 2.683030489e+01 2.683030489e+01 1.78 2.445729937e+01 2.445729937e+01 1.80 2.225529121e+01 2.225529121e+01 1.82 2.021192097e+01 2.021192097e+01 1.84 1.831579039e+01 1.831579039e+01 1.86 1.655644977e+01 1.655644977e+01 1.88 1.492434343e+01 1.492434343e+01 1.90 1.341072845e+01 1.341072845e+01 1.92 1.200756959e+01 1.200756959e+01 1.94 1.070741889e+01 1.070741889e+01 1.96 9.503300264e+00 9.503300264e+00 1.98 8.388618333e+00 8.388618333e+00 2.00 7.357099815e+00 7.357099815e+00 2.02 6.402766173e+00 6.402766173e+00 2.04 5.519927517e+00 5.519927517e+00 2.06 4.703181491e+00 4.703181491e+00 2.08 3.947406978e+00 3.947406978e+00 2.10 3.247758161e+00 3.247758161e+00 2.12 2.599672750e+00 2.599672750e+00 2.14 1.998901127e+00 1.998901127e+00 2.16 1.441549346e+00 1.441549346e+00 2.18 9.241201186e-01 9.241201186e-01 2.20 4.435359642e-01 4.435359642e-01 2.22 -2.864981420e-03 -2.864981420e-03 2.24 -4.173610323e-01 -4.173610323e-01 2.26 -8.018995038e-01 -8.018995038e-01 2.28 -1.158158343e+00 -1.158158343e+00 2.30 -1.487606235e+00 -1.487606235e+00 2.32 -1.791554918e+00 -1.791554918e+00 2.34 -2.071201372e+00 -2.071201372e+00 2.36 -2.327660728e+00 -2.327660728e+00 2.38 -2.561991243e+00 -2.561991243e+00 2.40 -2.775204853e+00 -2.775204853e+00 2.42 -2.968187418e+00 -2.968187418e+00 2.44 -3.141980334e+00 -3.141980334e+00 2.46 -3.297671642e+00 -3.297671642e+00 2.48 -3.436344222e+00 -3.436344222e+00 2.50 -3.559087630e+00 -3.559087630e+00 2.52 -3.667006307e+00 -3.667006307e+00 2.54 -3.761225282e+00 -3.761225282e+00 2.56 -3.842893826e+00 -3.842893826e+00 2.58 -3.913162275e+00 -3.913162275e+00 2.60 -3.973035750e+00 -3.973035750e+00 2.62 -4.023464616e+00 -4.023464616e+00 2.64 -4.065381977e+00 -4.065381977e+00 2.66 -4.099649518e+00 -4.099649518e+00 2.68 -4.127008107e+00 -4.127008107e+00 2.70 -4.148306146e+00 -4.148306146e+00 2.72 -4.164090286e+00 -4.164090286e+00 2.74 -4.174468568e+00 -4.174468568e+00 2.76 -4.179491894e+00 -4.179491894e+00 2.78 -4.179180938e+00 -4.179180938e+00 2.80 -4.174022388e+00 -4.174022388e+00 2.82 -4.164882989e+00 -4.164882989e+00 2.84 -4.151432023e+00 -4.151432023e+00 2.86 -4.133442574e+00 -4.133442574e+00 2.88 -4.110827939e+00 -4.110827939e+00 2.90 -4.083595057e+00 -4.083595057e+00 2.92 -4.051836904e+00 -4.051836904e+00 2.94 -4.015723589e+00 -4.015723589e+00 2.96 -3.975491302e+00 -3.975491302e+00 2.98 -3.931437822e+00 -3.931437822e+00 3.00 -3.883926801e+00 -3.883926801e+00 3.02 -3.833350397e+00 -3.833350397e+00 3.04 -3.780111622e+00 -3.780111622e+00 3.06 -3.724610746e+00 -3.724610746e+00 3.08 -3.667230022e+00 -3.667230022e+00 3.10 -3.608317602e+00 -3.608317602e+00 3.12 -3.548172576e+00 -3.548172576e+00 3.14 -3.487034011e+00 -3.487034011e+00 3.16 -3.425076032e+00 -3.425076032e+00 3.18 -3.362410106e+00 -3.362410106e+00 3.20 -3.299093571e+00 -3.299093571e+00 3.22 -3.235142578e+00 -3.235142578e+00 3.24 -3.170547190e+00 -3.170547190e+00 3.26 -3.105286648e+00 -3.105286648e+00 3.28 -3.039343455e+00 -3.039343455e+00 3.30 -2.972715516e+00 -2.972715516e+00 3.32 -2.905425983e+00 -2.905425983e+00 3.34 -2.837530657e+00 -2.837530657e+00 3.36 -2.769122790e+00 -2.769122790e+00 3.38 -2.700335121e+00 -2.700335121e+00 3.40 -2.631338963e+00 -2.631338963e+00 3.42 -2.562340276e+00 -2.562340276e+00 3.44 -2.493572821e+00 -2.493572821e+00 3.46 -2.425288870e+00 -2.425288870e+00 3.48 -2.357748184e+00 -2.357748184e+00 3.50 -2.291206240e+00 -2.291206240e+00 3.52 -2.225902825e+00 -2.225902825e+00 3.54 -2.162052011e+00 -2.162052011e+00 3.56 -2.099834359e+00 -2.099834359e+00 3.58 -2.039391817e+00 -2.039391817e+00 3.60 -1.980825464e+00 -1.980825464e+00 3.62 -1.924195870e+00 -1.924195870e+00 3.64 -1.869525640e+00 -1.869525640e+00 3.66 -1.816803532e+00 -1.816803532e+00 3.68 -1.765989553e+00 -1.765989553e+00 3.70 -1.717020457e+00 -1.717020457e+00 3.72 -1.669815210e+00 -1.669815210e+00 3.74 -1.624280077e+00 -1.624280077e+00 3.76 -1.580313154e+00 -1.580313154e+00 3.78 -1.537808219e+00 -1.537808219e+00 3.80 -1.496657905e+00 -1.496657905e+00 3.82 -1.456756208e+00 -1.456756208e+00 3.84 -1.418000401e+00 -1.418000401e+00 3.86 -1.380292438e+00 -1.380292438e+00 3.88 -1.343539920e+00 -1.343539920e+00 3.90 -1.307656731e+00 -1.307656731e+00 3.92 -1.272563417e+00 -1.272563417e+00 3.94 -1.238187423e+00 -1.238187423e+00 3.96 -1.204463161e+00 -1.204463161e+00 3.98 -1.171332100e+00 -1.171332100e+00 4.00 -1.138742814e+00 -1.138742814e+00 4.02 -1.106651031e+00 -1.106651031e+00 4.04 -1.075019692e+00 -1.075019692e+00 4.06 -1.043818984e+00 -1.043818984e+00 4.08 -1.013026342e+00 -1.013026342e+00 4.10 -9.826263690e-01 -9.826263690e-01 4.12 -9.526108155e-01 -9.526108155e-01 4.14 -9.229783174e-01 -9.229783174e-01 4.16 -8.937343670e-01 -8.937343670e-01 4.18 -8.648912166e-01 -8.648912166e-01 4.20 -8.364678515e-01 -8.364678515e-01 4.22 -8.084899542e-01 -8.084899542e-01 4.24 -7.809897320e-01 -7.809897320e-01 4.26 -7.540054360e-01 -7.540054360e-01 4.28 -7.275803781e-01 -7.275803781e-01 4.30 -7.017613086e-01 -7.017613086e-01 4.32 -6.765961165e-01 -6.765961165e-01 4.34 -6.521309608e-01 -6.521309608e-01 4.36 -6.284070817e-01 -6.284070817e-01 4.38 -6.054576455e-01 -6.054576455e-01 4.40 -5.833050053e-01 -5.833050053e-01 4.42 -5.619587114e-01 -5.619587114e-01 4.44 -5.414144867e-01 -5.414144867e-01 4.46 -5.216542347e-01 -5.216542347e-01 4.48 -5.026469991e-01 -5.026469991e-01 4.50 -4.843506852e-01 -4.843506852e-01 4.52 -4.667142921e-01 -4.667142921e-01 4.54 -4.496803985e-01 -4.496803985e-01 4.56 -4.331876755e-01 -4.331876755e-01 4.58 -4.171732558e-01 -4.171732558e-01 4.60 -4.015748468e-01 -4.015748468e-01 4.62 -3.863325322e-01 -3.863325322e-01 4.64 -3.713902455e-01 -3.713902455e-01 4.66 -3.566969282e-01 -3.566969282e-01 4.68 -3.422074015e-01 -3.422074015e-01 4.70 -3.278829891e-01 -3.278829891e-01 4.72 -3.136919320e-01 -3.136919320e-01 4.74 -2.996096400e-01 -2.996096400e-01 4.76 -2.856188250e-01 -2.856188250e-01 4.78 -2.717095723e-01 -2.717095723e-01 4.80 -2.578793570e-01 -2.578793570e-01 4.82 -2.441331152e-01 -2.441331152e-01 4.84 -2.304831955e-01 -2.304831955e-01 4.86 -2.169493903e-01 -2.169493903e-01 4.88 -2.035588395e-01 -2.035588395e-01 4.90 -1.903457652e-01 -1.903457652e-01 4.92 -1.773509303e-01 -1.773509303e-01 4.94 -1.646206584e-01 -1.646206584e-01 4.96 -1.522052601e-01 -1.522052601e-01 4.98 -1.401583334e-01 -1.401583334e-01 5.00 -1.285339780e-01 -1.285339780e-01 5.02 -1.173843939e-01 -1.173843939e-01 5.04 -1.067575814e-01 -1.067575814e-01 5.06 -9.669518923e-02 -9.669518923e-02 5.08 -8.723070308e-02 -8.723070308e-02 5.10 -7.838813246e-02 -7.838813246e-02 5.12 -7.018128803e-02 -7.018128803e-02 5.14 -6.261367370e-02 -6.261367370e-02 5.16 -5.567894932e-02 -5.567894932e-02 5.18 -4.936186690e-02 -4.936186690e-02 5.20 -4.363955033e-02 -4.363955033e-02 5.22 -3.848297805e-02 -3.848297805e-02 5.24 -3.385853506e-02 -3.385853506e-02 5.26 -2.972952217e-02 -2.972952217e-02 5.28 -2.605753853e-02 -2.605753853e-02 5.30 -2.280368013e-02 -2.280368013e-02 5.32 -1.992953190e-02 -1.992953190e-02 5.34 -1.739794422e-02 -1.739794422e-02 5.36 -1.517360200e-02 -1.517360200e-02 5.38 -1.322312779e-02 -1.322312779e-02 5.40 -1.151595395e-02 -1.151595395e-02 5.42 -1.002424893e-02 -1.002424893e-02 5.44 -8.722650829e-03 -8.722650829e-03 5.46 -7.588249334e-03 -7.588249334e-03 5.48 -6.600498866e-03 -6.600498866e-03 5.50 -5.741086367e-03 -5.741086367e-03 5.52 -4.993771864e-03 -4.993771864e-03 5.54 -4.344215419e-03 -4.344215419e-03 5.56 -3.779800349e-03 -3.779800349e-03 5.58 -3.289459608e-03 -3.289459608e-03 5.60 -2.863509958e-03 -2.863509958e-03 5.62 -2.493496762e-03 -2.493496762e-03 5.64 -2.172050982e-03 -2.172050982e-03 5.66 -1.892759000e-03 -1.892759000e-03 5.68 -1.650045283e-03 -1.650045283e-03 5.70 -1.439067418e-03 -1.439067418e-03 5.72 -1.255622843e-03 -1.255622843e-03 5.74 -1.096066377e-03 -1.096066377e-03 5.76 -9.572376275e-04 -9.572376275e-04 5.78 -8.363973188e-04 -8.363973188e-04 5.80 -7.311716079e-04 -7.311716079e-04 5.82 -6.395035044e-04 -6.395035044e-04 5.84 -5.596105765e-04 -5.596105765e-04 5.86 -4.899481887e-04 -4.899481887e-04 5.88 -4.291775927e-04 -4.291775927e-04 5.90 -3.761382593e-04 -3.761382593e-04 5.92 -3.298239116e-04 -3.298239116e-04 5.94 -2.893617751e-04 -2.893617751e-04 5.96 -2.539946253e-04 -2.539946253e-04 5.98 -2.230652599e-04 -2.230652599e-04 6.00 -1.960030727e-04 -1.960030727e-04