# 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 = AlMoZr2 # 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 2.867073964e+02 2.867073964e+02 1.30 2.668229559e+02 2.668229559e+02 1.32 2.483612009e+02 2.483612009e+02 1.34 2.312105662e+02 2.312105662e+02 1.36 2.152685698e+02 2.152685698e+02 1.38 2.004414378e+02 2.004414378e+02 1.40 1.866432192e+02 1.866432192e+02 1.42 1.737942864e+02 1.737942864e+02 1.44 1.618200943e+02 1.618200943e+02 1.46 1.506510650e+02 1.506510650e+02 1.48 1.402236074e+02 1.402236074e+02 1.50 1.304812560e+02 1.304812560e+02 1.52 1.213749376e+02 1.213749376e+02 1.54 1.128620950e+02 1.128620950e+02 1.56 1.049053415e+02 1.049053415e+02 1.58 9.747117060e+01 9.747117060e+01 1.60 9.052875669e+01 9.052875669e+01 1.62 8.404877446e+01 8.404877446e+01 1.64 7.800251396e+01 7.800251396e+01 1.66 7.236150188e+01 7.236150188e+01 1.68 6.709770820e+01 6.709770820e+01 1.70 6.218418996e+01 6.218418996e+01 1.72 5.759566362e+01 5.759566362e+01 1.74 5.330879580e+01 5.330879580e+01 1.76 4.930217207e+01 4.930217207e+01 1.78 4.555614573e+01 4.555614573e+01 1.80 4.205264289e+01 4.205264289e+01 1.82 3.877500149e+01 3.877500149e+01 1.84 3.570777639e+01 3.570777639e+01 1.86 3.283669182e+01 3.283669182e+01 1.88 3.014860834e+01 3.014860834e+01 1.90 2.763148087e+01 2.763148087e+01 1.92 2.527424227e+01 2.527424227e+01 1.94 2.306733865e+01 2.306733865e+01 1.96 2.100149025e+01 2.100149025e+01 1.98 1.906834047e+01 1.906834047e+01 2.00 1.726090878e+01 1.726090878e+01 2.02 1.557193589e+01 1.557193589e+01 2.04 1.399496417e+01 1.399496417e+01 2.06 1.252306446e+01 1.252306446e+01 2.08 1.114963190e+01 1.114963190e+01 2.10 9.868287729e+00 9.868287729e+00 2.12 8.672847558e+00 8.672847558e+00 2.14 7.557368037e+00 7.557368037e+00 2.16 6.516246854e+00 6.516246854e+00 2.18 5.544298992e+00 5.544298992e+00 2.20 4.636800631e+00 4.636800631e+00 2.22 3.789460462e+00 3.789460462e+00 2.24 2.998378822e+00 2.998378822e+00 2.26 2.260012719e+00 2.260012719e+00 2.28 1.571140086e+00 1.571140086e+00 2.30 9.288678392e-01 9.288678392e-01 2.32 3.305734827e-01 3.305734827e-01 2.34 -2.261082583e-01 -2.261082583e-01 2.36 -7.433582762e-01 -7.433582762e-01 2.38 -1.223223898e+00 -1.223223898e+00 2.40 -1.667668710e+00 -1.667668710e+00 2.42 -2.078619589e+00 -2.078619589e+00 2.44 -2.457986818e+00 -2.457986818e+00 2.46 -2.807681615e+00 -2.807681615e+00 2.48 -3.129606577e+00 -3.129606577e+00 2.50 -3.425632205e+00 -3.425632205e+00 2.52 -3.697565899e+00 -3.697565899e+00 2.54 -3.947122657e+00 -3.947122657e+00 2.56 -4.175904276e+00 -4.175904276e+00 2.58 -4.385389931e+00 -4.385389931e+00 2.60 -4.576936889e+00 -4.576936889e+00 2.62 -4.751783970e+00 -4.751783970e+00 2.64 -4.911071870e+00 -4.911071870e+00 2.66 -5.055828596e+00 -5.055828596e+00 2.68 -5.186990890e+00 -5.186990890e+00 2.70 -5.305408530e+00 -5.305408530e+00 2.72 -5.411855418e+00 -5.411855418e+00 2.74 -5.507041319e+00 -5.507041319e+00 2.76 -5.591622763e+00 -5.591622763e+00 2.78 -5.666303580e+00 -5.666303580e+00 2.80 -5.731621596e+00 -5.731621596e+00 2.82 -5.787989116e+00 -5.787989116e+00 2.84 -5.835802680e+00 -5.835802680e+00 2.86 -5.875436583e+00 -5.875436583e+00 2.88 -5.907242405e+00 -5.907242405e+00 2.90 -5.931550572e+00 -5.931550572e+00 2.92 -5.948619867e+00 -5.948619867e+00 2.94 -5.958710128e+00 -5.958710128e+00 2.96 -5.962076844e+00 -5.962076844e+00 2.98 -5.958819374e+00 -5.958819374e+00 3.00 -5.949056610e+00 -5.949056610e+00 3.02 -5.932940968e+00 -5.932940968e+00 3.04 -5.910650825e+00 -5.910650825e+00 3.06 -5.882401153e+00 -5.882401153e+00 3.08 -5.848414733e+00 -5.848414733e+00 3.10 -5.808935141e+00 -5.808935141e+00 3.12 -5.764757227e+00 -5.764757227e+00 3.14 -5.716265384e+00 -5.716265384e+00 3.16 -5.663257052e+00 -5.663257052e+00 3.18 -5.605645808e+00 -5.605645808e+00 3.20 -5.543438886e+00 -5.543438886e+00 3.22 -5.476721313e+00 -5.476721313e+00 3.24 -5.405643673e+00 -5.405643673e+00 3.26 -5.330413814e+00 -5.330413814e+00 3.28 -5.251294429e+00 -5.251294429e+00 3.30 -5.168605514e+00 -5.168605514e+00 3.32 -5.082708387e+00 -5.082708387e+00 3.34 -4.993994940e+00 -4.993994940e+00 3.36 -4.902878476e+00 -4.902878476e+00 3.38 -4.809783620e+00 -4.809783620e+00 3.40 -4.715135488e+00 -4.715135488e+00 3.42 -4.619359043e+00 -4.619359043e+00 3.44 -4.522862885e+00 -4.522862885e+00 3.46 -4.426042264e+00 -4.426042264e+00 3.48 -4.329272526e+00 -4.329272526e+00 3.50 -4.232904018e+00 -4.232904018e+00 3.52 -4.137256470e+00 -4.137256470e+00 3.54 -4.042613412e+00 -4.042613412e+00 3.56 -3.949217417e+00 -3.949217417e+00 3.58 -3.857266890e+00 -3.857266890e+00 3.60 -3.766914869e+00 -3.766914869e+00 3.62 -3.678269968e+00 -3.678269968e+00 3.64 -3.591399311e+00 -3.591399311e+00 3.66 -3.506333111e+00 -3.506333111e+00 3.68 -3.423070459e+00 -3.423070459e+00 3.70 -3.341585887e+00 -3.341585887e+00 3.72 -3.261836318e+00 -3.261836318e+00 3.74 -3.183768075e+00 -3.183768075e+00 3.76 -3.107323628e+00 -3.107323628e+00 3.78 -3.032447746e+00 -3.032447746e+00 3.80 -2.959092662e+00 -2.959092662e+00 3.82 -2.887221784e+00 -2.887221784e+00 3.84 -2.816811513e+00 -2.816811513e+00 3.86 -2.747850838e+00 -2.747850838e+00 3.88 -2.680338701e+00 -2.680338701e+00 3.90 -2.614279498e+00 -2.614279498e+00 3.92 -2.549674114e+00 -2.549674114e+00 3.94 -2.486528873e+00 -2.486528873e+00 3.96 -2.424828289e+00 -2.424828289e+00 3.98 -2.364548641e+00 -2.364548641e+00 4.00 -2.305653256e+00 -2.305653256e+00 4.02 -2.248093995e+00 -2.248093995e+00 4.04 -2.191814102e+00 -2.191814102e+00 4.06 -2.136751722e+00 -2.136751722e+00 4.08 -2.082843499e+00 -2.082843499e+00 4.10 -2.030019633e+00 -2.030019633e+00 4.12 -1.978240812e+00 -1.978240812e+00 4.14 -1.927446279e+00 -1.927446279e+00 4.16 -1.877593311e+00 -1.877593311e+00 4.18 -1.828648137e+00 -1.828648137e+00 4.20 -1.780586530e+00 -1.780586530e+00 4.22 -1.733394008e+00 -1.733394008e+00 4.24 -1.687065643e+00 -1.687065643e+00 4.26 -1.641605435e+00 -1.641605435e+00 4.28 -1.597025208e+00 -1.597025208e+00 4.30 -1.553343037e+00 -1.553343037e+00 4.32 -1.510581228e+00 -1.510581228e+00 4.34 -1.468763977e+00 -1.468763977e+00 4.36 -1.427914890e+00 -1.427914890e+00 4.38 -1.388054569e+00 -1.388054569e+00 4.40 -1.349198500e+00 -1.349198500e+00 4.42 -1.311355430e+00 -1.311355430e+00 4.44 -1.274526336e+00 -1.274526336e+00 4.46 -1.238704040e+00 -1.238704040e+00 4.48 -1.203873395e+00 -1.203873395e+00 4.50 -1.170011960e+00 -1.170011960e+00 4.52 -1.137090985e+00 -1.137090985e+00 4.54 -1.105076593e+00 -1.105076593e+00 4.56 -1.073931000e+00 -1.073931000e+00 4.58 -1.043613688e+00 -1.043613688e+00 4.60 -1.014082476e+00 -1.014082476e+00 4.62 -9.852944398e-01 -9.852944398e-01 4.64 -9.572067127e-01 -9.572067127e-01 4.66 -9.297771535e-01 -9.297771535e-01 4.68 -9.029649354e-01 -9.029649354e-01 4.70 -8.767310769e-01 -8.767310769e-01 4.72 -8.510389503e-01 -8.510389503e-01 4.74 -8.258547901e-01 -8.258547901e-01 4.76 -8.011482173e-01 -8.011482173e-01 4.78 -7.768927813e-01 -7.768927813e-01 4.80 -7.530604347e-01 -7.530604347e-01 4.82 -7.296473757e-01 -7.296473757e-01 4.84 -7.066348276e-01 -7.066348276e-01 4.86 -6.840171420e-01 -6.840171420e-01 4.88 -6.617946663e-01 -6.617946663e-01 4.90 -6.399736905e-01 -6.399736905e-01 4.92 -6.185661083e-01 -6.185661083e-01 4.94 -5.975887597e-01 -5.975887597e-01 4.96 -5.770624510e-01 -5.770624510e-01 4.98 -5.570106848e-01 -5.570106848e-01 5.00 -5.374581674e-01 -5.374581674e-01 5.02 -5.184291962e-01 -5.184291962e-01 5.04 -4.999460512e-01 -4.999460512e-01 5.06 -4.820275195e-01 -4.820275195e-01 5.08 -4.646876728e-01 -4.646876728e-01 5.10 -4.479349857e-01 -4.479349857e-01 5.12 -4.317718503e-01 -4.317718503e-01 5.14 -4.161944954e-01 -4.161944954e-01 5.16 -4.011932815e-01 -4.011932815e-01 5.18 -3.867533139e-01 -3.867533139e-01 5.20 -3.728552968e-01 -3.728552968e-01 5.22 -3.594765435e-01 -3.594765435e-01 5.24 -3.465920658e-01 -3.465920658e-01 5.26 -3.341756705e-01 -3.341756705e-01 5.28 -3.222010096e-01 -3.222010096e-01 5.30 -3.106425382e-01 -3.106425382e-01 5.32 -2.994763506e-01 -2.994763506e-01 5.34 -2.886808682e-01 -2.886808682e-01 5.36 -2.782373606e-01 -2.782373606e-01 5.38 -2.681302841e-01 -2.681302841e-01 5.40 -2.583474252e-01 -2.583474252e-01 5.42 -2.488798424e-01 -2.488798424e-01 5.44 -2.397216085e-01 -2.397216085e-01 5.46 -2.308693679e-01 -2.308693679e-01 5.48 -2.223217381e-01 -2.223217381e-01 5.50 -2.140786003e-01 -2.140786003e-01 5.52 -2.061403335e-01 -2.061403335e-01 5.54 -1.985070614e-01 -1.985070614e-01 5.56 -1.911779712e-01 -1.911779712e-01 5.58 -1.841507599e-01 -1.841507599e-01 5.60 -1.774212429e-01 -1.774212429e-01 5.62 -1.709828346e-01 -1.709828346e-01 5.64 -1.648271486e-01 -1.648271486e-01 5.66 -1.589440430e-01 -1.589440430e-01 5.68 -1.533215389e-01 -1.533215389e-01 5.70 -1.479461703e-01 -1.479461703e-01 5.72 -1.428033691e-01 -1.428033691e-01 5.74 -1.378778487e-01 -1.378778487e-01 5.76 -1.331539585e-01 -1.331539585e-01 5.78 -1.286159928e-01 -1.286159928e-01 5.80 -1.242484427e-01 -1.242484427e-01 5.82 -1.200361928e-01 -1.200361928e-01 5.84 -1.159646630e-01 -1.159646630e-01 5.86 -1.120199054e-01 -1.120199054e-01 5.88 -1.081886645e-01 -1.081886645e-01 5.90 -1.044584104e-01 -1.044584104e-01 5.92 -1.008173561e-01 -1.008173561e-01 5.94 -9.725446527e-02 -9.725446527e-02 5.96 -9.375946166e-02 -9.375946166e-02 5.98 -9.032284334e-02 -9.032284334e-02 6.00 -8.693590917e-02 -8.693590917e-02