# 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 = AlAuNi2 # 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 1.477883929e+02 1.477883929e+02 1.30 1.364856474e+02 1.364856474e+02 1.32 1.260253932e+02 1.260253932e+02 1.34 1.163417241e+02 1.163417241e+02 1.36 1.073744714e+02 1.073744714e+02 1.38 9.906822884e+01 9.906822884e+01 1.40 9.137205461e+01 9.137205461e+01 1.42 8.423928907e+01 8.423928907e+01 1.44 7.762704958e+01 7.762704958e+01 1.46 7.149550621e+01 7.149550621e+01 1.48 6.580750799e+01 6.580750799e+01 1.50 6.052889308e+01 6.052889308e+01 1.52 5.562888713e+01 5.562888713e+01 1.54 5.107977107e+01 5.107977107e+01 1.56 4.685594626e+01 4.685594626e+01 1.58 4.293315413e+01 4.293315413e+01 1.60 3.928826222e+01 3.928826222e+01 1.62 3.589946610e+01 3.589946610e+01 1.64 3.275290036e+01 3.275290036e+01 1.66 2.983702021e+01 2.983702021e+01 1.68 2.713363483e+01 2.713363483e+01 1.70 2.462764539e+01 2.462764539e+01 1.72 2.230402088e+01 2.230402088e+01 1.74 2.014908374e+01 2.014908374e+01 1.76 1.815067724e+01 1.815067724e+01 1.78 1.629799713e+01 1.629799713e+01 1.80 1.458138192e+01 1.458138192e+01 1.82 1.299206050e+01 1.299206050e+01 1.84 1.152192029e+01 1.152192029e+01 1.86 1.016335851e+01 1.016335851e+01 1.88 8.909205615e+00 8.909205615e+00 1.90 7.752664736e+00 7.752664736e+00 1.92 6.687227269e+00 6.687227269e+00 1.94 5.706568408e+00 5.706568408e+00 1.96 4.804464917e+00 4.804464917e+00 1.98 3.974793423e+00 3.974793423e+00 2.00 3.211637573e+00 3.211637573e+00 2.02 2.509466121e+00 2.509466121e+00 2.04 1.863293630e+00 1.863293630e+00 2.06 1.268747719e+00 1.268747719e+00 2.08 7.220282902e-01 7.220282902e-01 2.10 2.197996510e-01 2.197996510e-01 2.12 -2.409302194e-01 -2.409302194e-01 2.14 -6.629089794e-01 -6.629089794e-01 2.16 -1.048708257e+00 -1.048708257e+00 2.18 -1.400765255e+00 -1.400765255e+00 2.20 -1.721404444e+00 -1.721404444e+00 2.22 -2.012844126e+00 -2.012844126e+00 2.24 -2.277190901e+00 -2.277190901e+00 2.26 -2.516426085e+00 -2.516426085e+00 2.28 -2.732391278e+00 -2.732391278e+00 2.30 -2.926781935e+00 -2.926781935e+00 2.32 -3.101153825e+00 -3.101153825e+00 2.34 -3.256938614e+00 -3.256938614e+00 2.36 -3.395458912e+00 -3.395458912e+00 2.38 -3.517934993e+00 -3.517934993e+00 2.40 -3.625484118e+00 -3.625484118e+00 2.42 -3.719120591e+00 -3.719120591e+00 2.44 -3.799764600e+00 -3.799764600e+00 2.46 -3.868261980e+00 -3.868261980e+00 2.48 -3.925410978e+00 -3.925410978e+00 2.50 -3.971989068e+00 -3.971989068e+00 2.52 -4.008771047e+00 -4.008771047e+00 2.54 -4.036549450e+00 -4.036549450e+00 2.56 -4.056140698e+00 -4.056140698e+00 2.58 -4.068381343e+00 -4.068381343e+00 2.60 -4.074176244e+00 -4.074176244e+00 2.62 -4.074594282e+00 -4.074594282e+00 2.64 -4.070865591e+00 -4.070865591e+00 2.66 -4.063077682e+00 -4.063077682e+00 2.68 -4.051205149e+00 -4.051205149e+00 2.70 -4.035284719e+00 -4.035284719e+00 2.72 -4.015401239e+00 -4.015401239e+00 2.74 -3.991679366e+00 -3.991679366e+00 2.76 -3.964275366e+00 -3.964275366e+00 2.78 -3.933364131e+00 -3.933364131e+00 2.80 -3.899139228e+00 -3.899139228e+00 2.82 -3.861790596e+00 -3.861790596e+00 2.84 -3.821488454e+00 -3.821488454e+00 2.86 -3.778380197e+00 -3.778380197e+00 2.88 -3.732593351e+00 -3.732593351e+00 2.90 -3.684242932e+00 -3.684242932e+00 2.92 -3.633441152e+00 -3.633441152e+00 2.94 -3.580307895e+00 -3.580307895e+00 2.96 -3.524980996e+00 -3.524980996e+00 2.98 -3.467625531e+00 -3.467625531e+00 3.00 -3.408441077e+00 -3.408441077e+00 3.02 -3.347665463e+00 -3.347665463e+00 3.04 -3.285573361e+00 -3.285573361e+00 3.06 -3.222468670e+00 -3.222468670e+00 3.08 -3.158670837e+00 -3.158670837e+00 3.10 -3.094497212e+00 -3.094497212e+00 3.12 -3.030244681e+00 -3.030244681e+00 3.14 -2.966174330e+00 -2.966174330e+00 3.16 -2.902501726e+00 -2.902501726e+00 3.18 -2.839393923e+00 -2.839393923e+00 3.20 -2.776972264e+00 -2.776972264e+00 3.22 -2.715319084e+00 -2.715319084e+00 3.24 -2.654486138e+00 -2.654486138e+00 3.26 -2.594502949e+00 -2.594502949e+00 3.28 -2.535383966e+00 -2.535383966e+00 3.30 -2.477134078e+00 -2.477134078e+00 3.32 -2.419752492e+00 -2.419752492e+00 3.34 -2.363235230e+00 -2.363235230e+00 3.36 -2.307576570e+00 -2.307576570e+00 3.38 -2.252769769e+00 -2.252769769e+00 3.40 -2.198807294e+00 -2.198807294e+00 3.42 -2.145680802e+00 -2.145680802e+00 3.44 -2.093380952e+00 -2.093380952e+00 3.46 -2.041897238e+00 -2.041897238e+00 3.48 -1.991217873e+00 -1.991217873e+00 3.50 -1.941329802e+00 -1.941329802e+00 3.52 -1.892218884e+00 -1.892218884e+00 3.54 -1.843870218e+00 -1.843870218e+00 3.56 -1.796268595e+00 -1.796268595e+00 3.58 -1.749398989e+00 -1.749398989e+00 3.60 -1.703247042e+00 -1.703247042e+00 3.62 -1.657799477e+00 -1.657799477e+00 3.64 -1.613044436e+00 -1.613044436e+00 3.66 -1.568971753e+00 -1.568971753e+00 3.68 -1.525573235e+00 -1.525573235e+00 3.70 -1.482843019e+00 -1.482843019e+00 3.72 -1.440778086e+00 -1.440778086e+00 3.74 -1.399378940e+00 -1.399378940e+00 3.76 -1.358650429e+00 -1.358650429e+00 3.78 -1.318602565e+00 -1.318602565e+00 3.80 -1.279251154e+00 -1.279251154e+00 3.82 -1.240617968e+00 -1.240617968e+00 3.84 -1.202730212e+00 -1.202730212e+00 3.86 -1.165619102e+00 -1.165619102e+00 3.88 -1.129317537e+00 -1.129317537e+00 3.90 -1.093857025e+00 -1.093857025e+00 3.92 -1.059264237e+00 -1.059264237e+00 3.94 -1.025557686e+00 -1.025557686e+00 3.96 -9.927449976e-01 -9.927449976e-01 3.98 -9.608212303e-01 -9.608212303e-01 4.00 -9.297683948e-01 -9.297683948e-01 4.02 -8.995561693e-01 -8.995561693e-01 4.04 -8.701436026e-01 -8.701436026e-01 4.06 -8.414814982e-01 -8.414814982e-01 4.08 -8.135151565e-01 -8.135151565e-01 4.10 -7.861871924e-01 -7.861871924e-01 4.12 -7.594403009e-01 -7.594403009e-01 4.14 -7.332197009e-01 -7.332197009e-01 4.16 -7.074754228e-01 -7.074754228e-01 4.18 -6.821642502e-01 -6.821642502e-01 4.20 -6.572513624e-01 -6.572513624e-01 4.22 -6.327116288e-01 -6.327116288e-01 4.24 -6.085305024e-01 -6.085305024e-01 4.26 -5.847044442e-01 -5.847044442e-01 4.28 -5.612408291e-01 -5.612408291e-01 4.30 -5.381573109e-01 -5.381573109e-01 4.32 -5.154806768e-01 -5.154806768e-01 4.34 -4.932452786e-01 -4.932452786e-01 4.36 -4.714911680e-01 -4.714911680e-01 4.38 -4.502620801e-01 -4.502620801e-01 4.40 -4.296033906e-01 -4.296033906e-01 4.42 -4.095601273e-01 -4.095601273e-01 4.44 -3.901750659e-01 -3.901750659e-01 4.46 -3.714869015e-01 -3.714869015e-01 4.48 -3.535284872e-01 -3.535284872e-01 4.50 -3.363251570e-01 -3.363251570e-01 4.52 -3.198932085e-01 -3.198932085e-01 4.54 -3.042386658e-01 -3.042386658e-01 4.56 -2.893564689e-01 -2.893564689e-01 4.58 -2.752302196e-01 -2.752302196e-01 4.60 -2.618325548e-01 -2.618325548e-01 4.62 -2.491261503e-01 -2.491261503e-01 4.64 -2.370652647e-01 -2.370652647e-01 4.66 -2.255976792e-01 -2.255976792e-01 4.68 -2.146668659e-01 -2.146668659e-01 4.70 -2.042142437e-01 -2.042142437e-01 4.72 -1.941813578e-01 -1.941813578e-01 4.74 -1.845118268e-01 -1.845118268e-01 4.76 -1.751529539e-01 -1.751529539e-01 4.78 -1.660577449e-01 -1.660577449e-01 4.80 -1.571860689e-01 -1.571860689e-01 4.82 -1.485055297e-01 -1.485055297e-01 4.84 -1.399919121e-01 -1.399919121e-01 4.86 -1.316297245e-01 -1.316297245e-01 4.88 -1.234123621e-01 -1.234123621e-01 4.90 -1.153419186e-01 -1.153419186e-01 4.92 -1.074286219e-01 -1.074286219e-01 4.94 -9.968989053e-02 -9.968989053e-02 4.96 -9.214902859e-02 -9.214902859e-02 4.98 -8.483361046e-02 -8.483361046e-02 5.00 -7.777364127e-02 -7.777364127e-02 5.02 -7.099961126e-02 -7.099961126e-02 5.04 -6.454058181e-02 -6.454058181e-02 5.06 -5.842244454e-02 -5.842244454e-02 5.08 -5.266647905e-02 -5.266647905e-02 5.10 -4.728830211e-02 -4.728830211e-02 5.12 -4.229725774e-02 -4.229725774e-02 5.14 -3.769624978e-02 -3.769624978e-02 5.16 -3.348197593e-02 -3.348197593e-02 5.18 -2.964548971e-02 -2.964548971e-02 5.20 -2.617299813e-02 -2.617299813e-02 5.22 -2.304679827e-02 -2.304679827e-02 5.24 -2.024626010e-02 -2.024626010e-02 5.26 -1.774878756e-02 -1.774878756e-02 5.28 -1.553069684e-02 -1.553069684e-02 5.30 -1.356797027e-02 -1.356797027e-02 5.32 -1.183654368e-02 -1.183654368e-02 5.34 -1.031358360e-02 -1.031358360e-02 5.36 -8.977569871e-03 -8.977569871e-03 5.38 -7.808251296e-03 -7.808251296e-03 5.40 -6.786841144e-03 -6.786841144e-03 5.42 -5.896115514e-03 -5.896115514e-03 5.44 -5.120437536e-03 -5.120437536e-03 5.46 -4.445727344e-03 -4.445727344e-03 5.48 -3.859394375e-03 -3.859394375e-03 5.50 -3.350245284e-03 -3.350245284e-03 5.52 -2.908377759e-03 -2.908377759e-03 5.54 -2.525067970e-03 -2.525067970e-03 5.56 -2.192657243e-03 -2.192657243e-03 5.58 -1.904441857e-03 -1.904441857e-03 5.60 -1.654568517e-03 -1.654568517e-03 5.62 -1.437937072e-03 -1.437937072e-03 5.64 -1.250111264e-03 -1.250111264e-03 5.66 -1.087237792e-03 -1.087237792e-03 5.68 -9.459735890e-04 -9.459735890e-04 5.70 -8.234209665e-04 -8.234209665e-04 5.72 -7.170701260e-04 -7.170701260e-04 5.74 -6.247484657e-04 -6.247484657e-04 5.76 -5.445760612e-04 -5.445760612e-04 5.78 -4.749267062e-04 -4.749267062e-04 5.80 -4.143939173e-04 -4.143939173e-04 5.82 -3.617613412e-04 -3.617613412e-04 5.84 -3.159770457e-04 -3.159770457e-04 5.86 -2.761312203e-04 -2.761312203e-04 5.88 -2.414368606e-04 -2.414368606e-04 5.90 -2.112130557e-04 -2.112130557e-04 5.92 -1.848705391e-04 -1.848705391e-04 5.94 -1.618992062e-04 -1.618992062e-04 5.96 -1.418573346e-04 -1.418573346e-04 5.98 -1.243622807e-04 -1.243622807e-04 6.00 -1.090824498e-04 -1.090824498e-04