# 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 = CuPtTa2 # 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 3.417867200e+02 3.417867200e+02 1.30 3.180305846e+02 3.180305846e+02 1.32 2.959809161e+02 2.959809161e+02 1.34 2.755185446e+02 2.755185446e+02 1.36 2.565222516e+02 2.565222516e+02 1.38 2.388686986e+02 2.388686986e+02 1.40 2.224363157e+02 2.224363157e+02 1.42 2.071112637e+02 2.071112637e+02 1.44 1.927926842e+02 1.927926842e+02 1.46 1.793954381e+02 1.793954381e+02 1.48 1.668499937e+02 1.668499937e+02 1.50 1.550999019e+02 1.550999019e+02 1.52 1.440976224e+02 1.440976224e+02 1.54 1.337998963e+02 1.337998963e+02 1.56 1.241641575e+02 1.241641575e+02 1.58 1.151469404e+02 1.151469404e+02 1.60 1.067042117e+02 1.067042117e+02 1.62 9.879283817e+01 9.879283817e+01 1.64 9.137230961e+01 9.137230961e+01 1.66 8.440617026e+01 8.440617026e+01 1.68 7.786295029e+01 7.786295029e+01 1.70 7.171643187e+01 7.171643187e+01 1.72 6.594495519e+01 6.594495519e+01 1.74 6.052962673e+01 6.052962673e+01 1.76 5.545195925e+01 5.545195925e+01 1.78 5.069206916e+01 5.069206916e+01 1.80 4.622825427e+01 4.622825427e+01 1.82 4.203779167e+01 4.203779167e+01 1.84 3.810014396e+01 3.810014396e+01 1.86 3.440114487e+01 3.440114487e+01 1.88 3.092157507e+01 3.092157507e+01 1.90 2.764389304e+01 2.764389304e+01 1.92 2.458183238e+01 2.458183238e+01 1.94 2.175571323e+01 2.175571323e+01 1.96 1.915108097e+01 1.915108097e+01 1.98 1.675522851e+01 1.675522851e+01 2.00 1.455637798e+01 1.455637798e+01 2.02 1.254290850e+01 1.254290850e+01 2.04 1.070288528e+01 1.070288528e+01 2.06 9.023968485e+00 9.023968485e+00 2.08 7.493636895e+00 7.493636895e+00 2.10 6.099566631e+00 6.099566631e+00 2.12 4.830002056e+00 4.830002056e+00 2.14 3.674022839e+00 3.674022839e+00 2.16 2.621687010e+00 2.621687010e+00 2.18 1.664071030e+00 1.664071030e+00 2.20 7.932329662e-01 7.932329662e-01 2.22 2.117648439e-03 2.117648439e-03 2.24 -7.155788982e-01 -7.155788982e-01 2.26 -1.365564012e+00 -1.365564012e+00 2.28 -1.953097549e+00 -1.953097549e+00 2.30 -2.483114178e+00 -2.483114178e+00 2.32 -2.960304559e+00 -2.960304559e+00 2.34 -3.389149828e+00 -3.389149828e+00 2.36 -3.773913583e+00 -3.773913583e+00 2.38 -4.118604871e+00 -4.118604871e+00 2.40 -4.426931580e+00 -4.426931580e+00 2.42 -4.702263122e+00 -4.702263122e+00 2.44 -4.947615344e+00 -4.947615344e+00 2.46 -5.165662698e+00 -5.165662698e+00 2.48 -5.358775338e+00 -5.358775338e+00 2.50 -5.529072394e+00 -5.529072394e+00 2.52 -5.678477546e+00 -5.678477546e+00 2.54 -5.808601240e+00 -5.808601240e+00 2.56 -5.921090676e+00 -5.921090676e+00 2.58 -6.017670000e+00 -6.017670000e+00 2.60 -6.099862312e+00 -6.099862312e+00 2.62 -6.168989498e+00 -6.168989498e+00 2.64 -6.226184443e+00 -6.226184443e+00 2.66 -6.272416260e+00 -6.272416260e+00 2.68 -6.308521960e+00 -6.308521960e+00 2.70 -6.335158777e+00 -6.335158777e+00 2.72 -6.353348180e+00 -6.353348180e+00 2.74 -6.363803631e+00 -6.363803631e+00 2.76 -6.366536149e+00 -6.366536149e+00 2.78 -6.361593876e+00 -6.361593876e+00 2.80 -6.349045471e+00 -6.349045471e+00 2.82 -6.328972506e+00 -6.328972506e+00 2.84 -6.301470436e+00 -6.301470436e+00 2.86 -6.266656284e+00 -6.266656284e+00 2.88 -6.224680341e+00 -6.224680341e+00 2.90 -6.175738829e+00 -6.175738829e+00 2.92 -6.120084405e+00 -6.120084405e+00 2.94 -6.058031512e+00 -6.058031512e+00 2.96 -5.989954112e+00 -5.989954112e+00 2.98 -5.916274536e+00 -5.916274536e+00 3.00 -5.837444127e+00 -5.837444127e+00 3.02 -5.753918642e+00 -5.753918642e+00 3.04 -5.666234845e+00 -5.666234845e+00 3.06 -5.574844376e+00 -5.574844376e+00 3.08 -5.479947416e+00 -5.479947416e+00 3.10 -5.381709972e+00 -5.381709972e+00 3.12 -5.280269065e+00 -5.280269065e+00 3.14 -5.175743365e+00 -5.175743365e+00 3.16 -5.068248438e+00 -5.068248438e+00 3.18 -4.957913952e+00 -4.957913952e+00 3.20 -4.844900511e+00 -4.844900511e+00 3.22 -4.729414514e+00 -4.729414514e+00 3.24 -4.611728866e+00 -4.611728866e+00 3.26 -4.492186717e+00 -4.492186717e+00 3.28 -4.371188472e+00 -4.371188472e+00 3.30 -4.249183047e+00 -4.249183047e+00 3.32 -4.126652964e+00 -4.126652964e+00 3.34 -4.004093845e+00 -4.004093845e+00 3.36 -3.881990462e+00 -3.881990462e+00 3.38 -3.760792153e+00 -3.760792153e+00 3.40 -3.640890522e+00 -3.640890522e+00 3.42 -3.522601915e+00 -3.522601915e+00 3.44 -3.406156353e+00 -3.406156353e+00 3.46 -3.291693547e+00 -3.291693547e+00 3.48 -3.179265619e+00 -3.179265619e+00 3.50 -3.068845445e+00 -3.068845445e+00 3.52 -2.960339093e+00 -2.960339093e+00 3.54 -2.853600827e+00 -2.853600827e+00 3.56 -2.748461104e+00 -2.748461104e+00 3.58 -2.644832104e+00 -2.644832104e+00 3.60 -2.542671502e+00 -2.542671502e+00 3.62 -2.441945767e+00 -2.441945767e+00 3.64 -2.342643793e+00 -2.342643793e+00 3.66 -2.244788236e+00 -2.244788236e+00 3.68 -2.148443728e+00 -2.148443728e+00 3.70 -2.053721543e+00 -2.053721543e+00 3.72 -1.960780285e+00 -1.960780285e+00 3.74 -1.869822321e+00 -1.869822321e+00 3.76 -1.781085887e+00 -1.781085887e+00 3.78 -1.694833229e+00 -1.694833229e+00 3.80 -1.611335559e+00 -1.611335559e+00 3.82 -1.530856120e+00 -1.530856120e+00 3.84 -1.453633006e+00 -1.453633006e+00 3.86 -1.379863533e+00 -1.379863533e+00 3.88 -1.309691811e+00 -1.309691811e+00 3.90 -1.243200734e+00 -1.243200734e+00 3.92 -1.180408973e+00 -1.180408973e+00 3.94 -1.121272867e+00 -1.121272867e+00 3.96 -1.065692472e+00 -1.065692472e+00 3.98 -1.013520676e+00 -1.013520676e+00 4.00 -9.645740900e-01 -9.645740900e-01 4.02 -9.186445291e-01 -9.186445291e-01 4.04 -8.755100978e-01 -8.755100978e-01 4.06 -8.349451806e-01 -8.349451806e-01 4.08 -7.967289028e-01 -7.967289028e-01 4.10 -7.606518339e-01 -7.606518339e-01 4.12 -7.265208901e-01 -7.265208901e-01 4.14 -6.941623965e-01 -6.941623965e-01 4.16 -6.634235032e-01 -6.634235032e-01 4.18 -6.341720545e-01 -6.341720545e-01 4.20 -6.062951835e-01 -6.062951835e-01 4.22 -5.796969488e-01 -5.796969488e-01 4.24 -5.542954009e-01 -5.542954009e-01 4.26 -5.300194905e-01 -5.300194905e-01 4.28 -5.068062055e-01 -5.068062055e-01 4.30 -4.845982330e-01 -4.845982330e-01 4.32 -4.633423052e-01 -4.633423052e-01 4.34 -4.429882340e-01 -4.429882340e-01 4.36 -4.234884950e-01 -4.234884950e-01 4.38 -4.047981623e-01 -4.047981623e-01 4.40 -3.868749050e-01 -3.868749050e-01 4.42 -3.696788476e-01 -3.696788476e-01 4.44 -3.531722281e-01 -3.531722281e-01 4.46 -3.373192995e-01 -3.373192995e-01 4.48 -3.220837478e-01 -3.220837478e-01 4.50 -3.074287185e-01 -3.074287185e-01 4.52 -2.933162798e-01 -2.933162798e-01 4.54 -2.797067601e-01 -2.797067601e-01 4.56 -2.665585515e-01 -2.665585515e-01 4.58 -2.538283524e-01 -2.538283524e-01 4.60 -2.414719749e-01 -2.414719749e-01 4.62 -2.294459368e-01 -2.294459368e-01 4.64 -2.177086247e-01 -2.177086247e-01 4.66 -2.062220314e-01 -2.062220314e-01 4.68 -1.949535469e-01 -1.949535469e-01 4.70 -1.838776391e-01 -1.838776391e-01 4.72 -1.729772970e-01 -1.729772970e-01 4.74 -1.622451109e-01 -1.622451109e-01 4.76 -1.516838801e-01 -1.516838801e-01 4.78 -1.413066529e-01 -1.413066529e-01 4.80 -1.311361384e-01 -1.311361384e-01 4.82 -1.212034767e-01 -1.212034767e-01 4.84 -1.115464027e-01 -1.115464027e-01 4.86 -1.022069230e-01 -1.022069230e-01 4.88 -9.322866730e-02 -9.322866730e-02 4.90 -8.465413371e-02 -8.465413371e-02 4.92 -7.652206392e-02 -7.652206392e-02 4.94 -6.886517040e-02 -6.886517040e-02 4.96 -6.170839542e-02 -6.170839542e-02 4.98 -5.506781234e-02 -5.506781234e-02 5.00 -4.895020408e-02 -4.895020408e-02 5.02 -4.335326702e-02 -4.335326702e-02 5.04 -3.826634512e-02 -3.826634512e-02 5.06 -3.367156754e-02 -3.367156754e-02 5.08 -2.954521807e-02 -2.954521807e-02 5.10 -2.585919880e-02 -2.585919880e-02 5.12 -2.258244414e-02 -2.258244414e-02 5.14 -1.968223430e-02 -1.968223430e-02 5.16 -1.712529293e-02 -1.712529293e-02 5.18 -1.487838303e-02 -1.487838303e-02 5.20 -1.291004327e-02 -1.291004327e-02 5.22 -1.119051001e-02 -1.119051001e-02 5.24 -9.691900100e-03 -9.691900100e-03 5.26 -8.388467071e-03 -8.388467071e-03 5.28 -7.256719301e-03 -7.256719301e-03 5.30 -6.275434150e-03 -6.275434150e-03 5.32 -5.425597214e-03 -5.425597214e-03 5.34 -4.690290760e-03 -4.690290760e-03 5.36 -4.054550412e-03 -4.054550412e-03 5.38 -3.505204686e-03 -3.505204686e-03 5.40 -3.030708149e-03 -3.030708149e-03 5.42 -2.620975867e-03 -2.620975867e-03 5.44 -2.267224324e-03 -2.267224324e-03 5.46 -1.961822085e-03 -1.961822085e-03 5.48 -1.698152073e-03 -1.698152073e-03 5.50 -1.470486291e-03 -1.470486291e-03 5.52 -1.273873099e-03 -1.273873099e-03 5.54 -1.104036671e-03 -1.104036671e-03 5.56 -9.572879546e-04 -9.572879546e-04 5.58 -8.304462818e-04 -8.304462818e-04 5.60 -7.207706715e-04 -7.207706715e-04 5.62 -6.258998798e-04 -6.258998798e-04 5.64 -5.438002444e-04 -5.438002444e-04 5.66 -4.727204356e-04 -4.727204356e-04 5.68 -4.111522850e-04 -4.111522850e-04 5.70 -3.577969386e-04 -3.577969386e-04 5.72 -3.115356519e-04 -3.115356519e-04 5.74 -2.714046226e-04 -2.714046226e-04 5.76 -2.365733203e-04 -2.365733203e-04 5.78 -2.063258441e-04 -2.063258441e-04 5.80 -1.800448922e-04 -1.800448922e-04 5.82 -1.571979828e-04 -1.571979828e-04 5.84 -1.373256152e-04 -1.373256152e-04 5.86 -1.200310969e-04 -1.200310969e-04 5.88 -1.049718054e-04 -1.049718054e-04 5.90 -9.185167966e-05 -9.185167966e-05 5.92 -8.041476974e-05 -8.041476974e-05 5.94 -7.043969261e-05 -7.043969261e-05 5.96 -6.173486720e-05 -6.173486720e-05 5.98 -5.413441734e-05 -5.413441734e-05 6.00 -4.749464816e-05 -4.749464816e-05