# 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 = AuCu2Pt # 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 2.199547962e+02 2.199547962e+02 1.30 2.036553591e+02 2.036553591e+02 1.32 1.885098580e+02 1.885098580e+02 1.34 1.744440413e+02 1.744440413e+02 1.36 1.613851591e+02 1.613851591e+02 1.38 1.492575851e+02 1.492575851e+02 1.40 1.379844931e+02 1.379844931e+02 1.42 1.274923437e+02 1.274923437e+02 1.44 1.177146407e+02 1.177146407e+02 1.46 1.085941428e+02 1.085941428e+02 1.48 1.000834567e+02 1.000834567e+02 1.50 9.214322073e+01 9.214322073e+01 1.52 8.473810093e+01 8.473810093e+01 1.54 7.783285177e+01 7.783285177e+01 1.56 7.139069846e+01 7.139069846e+01 1.58 6.537413760e+01 6.537413760e+01 1.60 5.974670255e+01 5.974670255e+01 1.62 5.447449924e+01 5.447449924e+01 1.64 4.952721712e+01 4.952721712e+01 1.66 4.488661387e+01 4.488661387e+01 1.68 4.057918799e+01 4.057918799e+01 1.70 3.661299499e+01 3.661299499e+01 1.72 3.296514723e+01 3.296514723e+01 1.74 2.961547550e+01 2.961547550e+01 1.76 2.654480807e+01 2.654480807e+01 1.78 2.373392604e+01 2.373392604e+01 1.80 2.116328859e+01 2.116328859e+01 1.82 1.881338545e+01 1.881338545e+01 1.84 1.666540110e+01 1.666540110e+01 1.86 1.470183627e+01 1.470183627e+01 1.88 1.290681217e+01 1.290681217e+01 1.90 1.126598856e+01 1.126598856e+01 1.92 9.766254217e+00 9.766254217e+00 1.94 8.395446571e+00 8.395446571e+00 1.96 7.142267620e+00 7.142267620e+00 1.98 5.996375663e+00 5.996375663e+00 2.00 4.948509201e+00 4.948509201e+00 2.02 3.990515877e+00 3.990515877e+00 2.04 3.115254445e+00 3.115254445e+00 2.06 2.316413887e+00 2.316413887e+00 2.08 1.588314075e+00 1.588314075e+00 2.10 9.257357970e-01 9.257357970e-01 2.12 3.238027027e-01 3.238027027e-01 2.14 -2.220824292e-01 -2.220824292e-01 2.16 -7.162576055e-01 -7.162576055e-01 2.18 -1.162794799e+00 -1.162794799e+00 2.20 -1.565483129e+00 -1.565483129e+00 2.22 -1.927813383e+00 -1.927813383e+00 2.24 -2.252970348e+00 -2.252970348e+00 2.26 -2.543838610e+00 -2.543838610e+00 2.28 -2.803027101e+00 -2.803027101e+00 2.30 -3.032912146e+00 -3.032912146e+00 2.32 -3.235688681e+00 -3.235688681e+00 2.34 -3.413412790e+00 -3.413412790e+00 2.36 -3.568887818e+00 -3.568887818e+00 2.38 -3.704777237e+00 -3.704777237e+00 2.40 -3.822249230e+00 -3.822249230e+00 2.42 -3.922454599e+00 -3.922454599e+00 2.44 -4.006541969e+00 -4.006541969e+00 2.46 -4.075671957e+00 -4.075671957e+00 2.48 -4.131032716e+00 -4.131032716e+00 2.50 -4.173847822e+00 -4.173847822e+00 2.52 -4.205368790e+00 -4.205368790e+00 2.54 -4.226848448e+00 -4.226848448e+00 2.56 -4.239497969e+00 -4.239497969e+00 2.58 -4.244437599e+00 -4.244437599e+00 2.60 -4.242655148e+00 -4.242655148e+00 2.62 -4.234990603e+00 -4.234990603e+00 2.64 -4.222189832e+00 -4.222189832e+00 2.66 -4.204760531e+00 -4.204760531e+00 2.68 -4.183138252e+00 -4.183138252e+00 2.70 -4.158061472e+00 -4.158061472e+00 2.72 -4.129532709e+00 -4.129532709e+00 2.74 -4.097431004e+00 -4.097431004e+00 2.76 -4.061707404e+00 -4.061707404e+00 2.78 -4.022361255e+00 -4.022361255e+00 2.80 -3.979420928e+00 -3.979420928e+00 2.82 -3.932929130e+00 -3.932929130e+00 2.84 -3.882944669e+00 -3.882944669e+00 2.86 -3.829559947e+00 -3.829559947e+00 2.88 -3.772938544e+00 -3.772938544e+00 2.90 -3.713298353e+00 -3.713298353e+00 2.92 -3.650915455e+00 -3.650915455e+00 2.94 -3.586132410e+00 -3.586132410e+00 2.96 -3.519356348e+00 -3.519356348e+00 2.98 -3.451045083e+00 -3.451045083e+00 3.00 -3.381682447e+00 -3.381682447e+00 3.02 -3.311747043e+00 -3.311747043e+00 3.04 -3.241680618e+00 -3.241680618e+00 3.06 -3.171862247e+00 -3.171862247e+00 3.08 -3.102592386e+00 -3.102592386e+00 3.10 -3.034118466e+00 -3.034118466e+00 3.12 -2.966685073e+00 -2.966685073e+00 3.14 -2.900444433e+00 -2.900444433e+00 3.16 -2.835459568e+00 -2.835459568e+00 3.18 -2.771728327e+00 -2.771728327e+00 3.20 -2.709203886e+00 -2.709203886e+00 3.22 -2.647811254e+00 -2.647811254e+00 3.24 -2.587460150e+00 -2.587460150e+00 3.26 -2.528054910e+00 -2.528054910e+00 3.28 -2.469502129e+00 -2.469502129e+00 3.30 -2.411716536e+00 -2.411716536e+00 3.32 -2.354625424e+00 -2.354625424e+00 3.34 -2.298171734e+00 -2.298171734e+00 3.36 -2.242315811e+00 -2.242315811e+00 3.38 -2.187035823e+00 -2.187035823e+00 3.40 -2.132326915e+00 -2.132326915e+00 3.42 -2.078199244e+00 -2.078199244e+00 3.44 -2.024675161e+00 -2.024675161e+00 3.46 -1.971785873e+00 -1.971785873e+00 3.48 -1.919567913e+00 -1.919567913e+00 3.50 -1.868059748e+00 -1.868059748e+00 3.52 -1.817298761e+00 -1.817298761e+00 3.54 -1.767318799e+00 -1.767318799e+00 3.56 -1.718148357e+00 -1.718148357e+00 3.58 -1.669809449e+00 -1.669809449e+00 3.60 -1.622317132e+00 -1.622317132e+00 3.62 -1.575679649e+00 -1.575679649e+00 3.64 -1.529899120e+00 -1.529899120e+00 3.66 -1.484972710e+00 -1.484972710e+00 3.68 -1.440894184e+00 -1.440894184e+00 3.70 -1.397655736e+00 -1.397655736e+00 3.72 -1.355249946e+00 -1.355249946e+00 3.74 -1.313671672e+00 -1.313671672e+00 3.76 -1.272919647e+00 -1.272919647e+00 3.78 -1.232997530e+00 -1.232997530e+00 3.80 -1.193914175e+00 -1.193914175e+00 3.82 -1.155682957e+00 -1.155682957e+00 3.84 -1.118320139e+00 -1.118320139e+00 3.86 -1.081842415e+00 -1.081842415e+00 3.88 -1.046263956e+00 -1.046263956e+00 3.90 -1.011593422e+00 -1.011593422e+00 3.92 -9.778314145e-01 -9.778314145e-01 3.94 -9.449687902e-01 -9.449687902e-01 3.96 -9.129860973e-01 -9.129860973e-01 3.98 -8.818542038e-01 -8.818542038e-01 4.00 -8.515359876e-01 -8.515359876e-01 4.02 -8.219888375e-01 -8.219888375e-01 4.04 -7.931676459e-01 -7.931676459e-01 4.06 -7.650279635e-01 -7.650279635e-01 4.08 -7.375290178e-01 -7.375290178e-01 4.10 -7.106363334e-01 -7.106363334e-01 4.12 -6.843237686e-01 -6.843237686e-01 4.14 -6.585747451e-01 -6.585747451e-01 4.16 -6.333826445e-01 -6.333826445e-01 4.18 -6.087502771e-01 -6.087502771e-01 4.20 -5.846885084e-01 -5.846885084e-01 4.22 -5.612142045e-01 -5.612142045e-01 4.24 -5.383477568e-01 -5.383477568e-01 4.26 -5.161105068e-01 -5.161105068e-01 4.28 -4.945223959e-01 -4.945223959e-01 4.30 -4.736001064e-01 -4.736001064e-01 4.32 -4.533558471e-01 -4.533558471e-01 4.34 -4.337968016e-01 -4.337968016e-01 4.36 -4.149251307e-01 -4.149251307e-01 4.38 -3.967383319e-01 -3.967383319e-01 4.40 -3.792297319e-01 -3.792297319e-01 4.42 -3.623889111e-01 -3.623889111e-01 4.44 -3.462019335e-01 -3.462019335e-01 4.46 -3.306513446e-01 -3.306513446e-01 4.48 -3.157159897e-01 -3.157159897e-01 4.50 -3.013707677e-01 -3.013707677e-01 4.52 -2.875864644e-01 -2.875864644e-01 4.54 -2.743297989e-01 -2.743297989e-01 4.56 -2.615637791e-01 -2.615637791e-01 4.58 -2.492484075e-01 -2.492484075e-01 4.60 -2.373417244e-01 -2.373417244e-01 4.62 -2.258011297e-01 -2.258011297e-01 4.64 -2.145848934e-01 -2.145848934e-01 4.66 -2.036537645e-01 -2.036537645e-01 4.68 -1.929725703e-01 -1.929725703e-01 4.70 -1.825116840e-01 -1.825116840e-01 4.72 -1.722483335e-01 -1.722483335e-01 4.74 -1.621681605e-01 -1.621681605e-01 4.76 -1.522642344e-01 -1.522642344e-01 4.78 -1.425383859e-01 -1.425383859e-01 4.80 -1.330010569e-01 -1.330010569e-01 4.82 -1.236704665e-01 -1.236704665e-01 4.84 -1.145713505e-01 -1.145713505e-01 4.86 -1.057333402e-01 -1.057333402e-01 4.88 -9.718906154e-02 -9.718906154e-02 4.90 -8.897209513e-02 -8.897209513e-02 4.92 -8.111494954e-02 -8.111494954e-02 4.94 -7.364719915e-02 -7.364719915e-02 4.96 -6.659391668e-02 -6.659391668e-02 4.98 -5.997449254e-02 -5.997449254e-02 5.00 -5.380188741e-02 -5.380188741e-02 5.02 -4.808231880e-02 -4.808231880e-02 5.04 -4.281534394e-02 -4.281534394e-02 5.06 -3.799427455e-02 -3.799427455e-02 5.08 -3.360684406e-02 -3.360684406e-02 5.10 -2.963604467e-02 -2.963604467e-02 5.12 -2.606105634e-02 -2.606105634e-02 5.14 -2.285820014e-02 -2.285820014e-02 5.16 -2.000185959e-02 -2.000185959e-02 5.18 -1.746533005e-02 -1.746533005e-02 5.20 -1.522156990e-02 -1.522156990e-02 5.22 -1.324383386e-02 -1.324383386e-02 5.24 -1.150603405e-02 -1.150603405e-02 5.26 -9.983242912e-03 -9.983242912e-03 5.28 -8.652456560e-03 -8.652456560e-03 5.30 -7.492218987e-03 -7.492218987e-03 5.32 -6.482748364e-03 -6.482748364e-03 5.34 -5.606000922e-03 -5.606000922e-03 5.36 -4.845667509e-03 -4.845667509e-03 5.38 -4.187121066e-03 -4.187121066e-03 5.40 -3.617330225e-03 -3.617330225e-03 5.42 -3.124751364e-03 -3.124751364e-03 5.44 -2.699208715e-03 -2.699208715e-03 5.46 -2.331769850e-03 -2.331769850e-03 5.48 -2.014621836e-03 -2.014621836e-03 5.50 -1.740951806e-03 -1.740951806e-03 5.52 -1.504834348e-03 -1.504834348e-03 5.54 -1.301127201e-03 -1.301127201e-03 5.56 -1.125375953e-03 -1.125375953e-03 5.58 -9.737279386e-04 -9.737279386e-04 5.60 -8.428551512e-04 -8.428551512e-04 5.62 -7.298857445e-04 -7.298857445e-04 5.64 -6.323435357e-04 -6.323435357e-04 5.66 -5.480948556e-04 -5.480948556e-04 5.68 -4.753020532e-04 -4.753020532e-04 5.70 -4.123829676e-04 -4.123829676e-04 5.72 -3.579757078e-04 -3.579757078e-04 5.74 -3.109081216e-04 -3.109081216e-04 5.76 -2.701713846e-04 -2.701713846e-04 5.78 -2.348971925e-04 -2.348971925e-04 5.80 -2.043380935e-04 -2.043380935e-04 5.82 -1.778505472e-04 -1.778505472e-04 5.84 -1.548803454e-04 -1.548803454e-04 5.86 -1.349500759e-04 -1.349500759e-04 5.88 -1.176483467e-04 -1.176483467e-04 5.90 -1.026205289e-04 -1.026205289e-04 5.92 -8.956080612e-05 -8.956080612e-05 5.94 -7.820534644e-05 -7.820534644e-05 5.96 -6.832643929e-05 -6.832643929e-05 5.98 -5.972746100e-05 -5.972746100e-05 6.00 -5.223855110e-05 -5.223855110e-05