# 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 = AuCo2Pd # 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 2.337063626e+02 2.337063626e+02 1.30 2.157491491e+02 2.157491491e+02 1.32 1.991531661e+02 1.991531661e+02 1.34 1.838078247e+02 1.838078247e+02 1.36 1.696122091e+02 1.696122091e+02 1.38 1.564736856e+02 1.564736856e+02 1.40 1.443073476e+02 1.443073476e+02 1.42 1.330357210e+02 1.330357210e+02 1.44 1.225885908e+02 1.225885908e+02 1.46 1.129027807e+02 1.129027807e+02 1.48 1.039212237e+02 1.039212237e+02 1.50 9.559133889e+01 9.559133889e+01 1.52 8.786377477e+01 8.786377477e+01 1.54 8.069211638e+01 8.069211638e+01 1.56 7.403308571e+01 7.403308571e+01 1.58 6.784667313e+01 6.784667313e+01 1.60 6.209612223e+01 6.209612223e+01 1.62 5.674791767e+01 5.674791767e+01 1.64 5.177178742e+01 5.177178742e+01 1.66 4.714131215e+01 4.714131215e+01 1.68 4.284470808e+01 4.284470808e+01 1.70 3.887783990e+01 3.887783990e+01 1.72 3.522023765e+01 3.522023765e+01 1.74 3.184823998e+01 3.184823998e+01 1.76 2.873982119e+01 2.873982119e+01 1.78 2.587467592e+01 2.587467592e+01 1.80 2.323425355e+01 2.323425355e+01 1.82 2.080169312e+01 2.080169312e+01 1.84 1.856165340e+01 1.856165340e+01 1.86 1.650007562e+01 1.650007562e+01 1.88 1.460393641e+01 1.460393641e+01 1.90 1.286105182e+01 1.286105182e+01 1.92 1.125997681e+01 1.125997681e+01 1.94 9.789997632e+00 9.789997632e+00 1.96 8.441160333e+00 8.441160333e+00 1.98 7.204266221e+00 7.204266221e+00 2.00 6.070811103e+00 6.070811103e+00 2.02 5.032904192e+00 5.032904192e+00 2.04 4.083211414e+00 4.083211414e+00 2.06 3.214930071e+00 3.214930071e+00 2.08 2.421772290e+00 2.421772290e+00 2.10 1.697939083e+00 1.697939083e+00 2.12 1.038084707e+00 1.038084707e+00 2.14 4.372801779e-01 4.372801779e-01 2.16 -1.090166349e-01 -1.090166349e-01 2.18 -6.049826642e-01 -6.049826642e-01 2.20 -1.054446963e+00 -1.054446963e+00 2.22 -1.460909721e+00 -1.460909721e+00 2.24 -1.827566681e+00 -1.827566681e+00 2.26 -2.157338432e+00 -2.157338432e+00 2.28 -2.452901677e+00 -2.452901677e+00 2.30 -2.716719744e+00 -2.716719744e+00 2.32 -2.951070866e+00 -2.951070866e+00 2.34 -3.158073736e+00 -3.158073736e+00 2.36 -3.339710450e+00 -3.339710450e+00 2.38 -3.497847192e+00 -3.497847192e+00 2.40 -3.634252966e+00 -3.634252966e+00 2.42 -3.750616325e+00 -3.750616325e+00 2.44 -3.848559160e+00 -3.848559160e+00 2.46 -3.929645636e+00 -3.929645636e+00 2.48 -3.995384734e+00 -3.995384734e+00 2.50 -4.047310708e+00 -4.047310708e+00 2.52 -4.086762974e+00 -4.086762974e+00 2.54 -4.114919846e+00 -4.114919846e+00 2.56 -4.132900611e+00 -4.132900611e+00 2.58 -4.142047637e+00 -4.142047637e+00 2.60 -4.143567893e+00 -4.143567893e+00 2.62 -4.138046792e+00 -4.138046792e+00 2.64 -4.126038451e+00 -4.126038451e+00 2.66 -4.107961524e+00 -4.107961524e+00 2.68 -4.084138567e+00 -4.084138567e+00 2.70 -4.054874856e+00 -4.054874856e+00 2.72 -4.020460707e+00 -4.020460707e+00 2.74 -3.981210059e+00 -3.981210059e+00 2.76 -3.937435827e+00 -3.937435827e+00 2.78 -3.889438095e+00 -3.889438095e+00 2.80 -3.837513156e+00 -3.837513156e+00 2.82 -3.781959055e+00 -3.781959055e+00 2.84 -3.723079260e+00 -3.723079260e+00 2.86 -3.661185028e+00 -3.661185028e+00 2.88 -3.596596685e+00 -3.596596685e+00 2.90 -3.529643637e+00 -3.529643637e+00 2.92 -3.460662921e+00 -3.460662921e+00 2.94 -3.389996422e+00 -3.389996422e+00 2.96 -3.317987331e+00 -3.317987331e+00 2.98 -3.244976555e+00 -3.244976555e+00 3.00 -3.171299385e+00 -3.171299385e+00 3.02 -3.097281863e+00 -3.097281863e+00 3.04 -3.023235752e+00 -3.023235752e+00 3.06 -2.949451262e+00 -2.949451262e+00 3.08 -2.876187986e+00 -2.876187986e+00 3.10 -2.803665990e+00 -2.803665990e+00 3.12 -2.732059630e+00 -2.732059630e+00 3.14 -2.661496028e+00 -2.661496028e+00 3.16 -2.592058566e+00 -2.592058566e+00 3.18 -2.523794254e+00 -2.523794254e+00 3.20 -2.456723025e+00 -2.456723025e+00 3.22 -2.390847050e+00 -2.390847050e+00 3.24 -2.326158781e+00 -2.326158781e+00 3.26 -2.262647080e+00 -2.262647080e+00 3.28 -2.200301376e+00 -2.200301376e+00 3.30 -2.139114096e+00 -2.139114096e+00 3.32 -2.079081746e+00 -2.079081746e+00 3.34 -2.020205033e+00 -2.020205033e+00 3.36 -1.962488352e+00 -1.962488352e+00 3.38 -1.905938898e+00 -1.905938898e+00 3.40 -1.850565595e+00 -1.850565595e+00 3.42 -1.796377984e+00 -1.796377984e+00 3.44 -1.743385139e+00 -1.743385139e+00 3.46 -1.691594696e+00 -1.691594696e+00 3.48 -1.641012008e+00 -1.641012008e+00 3.50 -1.591639456e+00 -1.591639456e+00 3.52 -1.543475913e+00 -1.543475913e+00 3.54 -1.496516365e+00 -1.496516365e+00 3.56 -1.450751689e+00 -1.450751689e+00 3.58 -1.406168575e+00 -1.406168575e+00 3.60 -1.362749606e+00 -1.362749606e+00 3.62 -1.320473481e+00 -1.320473481e+00 3.64 -1.279315381e+00 -1.279315381e+00 3.66 -1.239247470e+00 -1.239247470e+00 3.68 -1.200239502e+00 -1.200239502e+00 3.70 -1.162259513e+00 -1.162259513e+00 3.72 -1.125274533e+00 -1.125274533e+00 3.74 -1.089251290e+00 -1.089251290e+00 3.76 -1.054156830e+00 -1.054156830e+00 3.78 -1.019959028e+00 -1.019959028e+00 3.80 -9.866269508e-01 -9.866269508e-01 3.82 -9.541310720e-01 -9.541310720e-01 3.84 -9.224433520e-01 -9.224433520e-01 3.86 -8.915372139e-01 -8.915372139e-01 3.88 -8.613874635e-01 -8.613874635e-01 3.90 -8.319701992e-01 -8.319701992e-01 3.92 -8.032627580e-01 -8.032627580e-01 3.94 -7.752437343e-01 -7.752437343e-01 3.96 -7.478930872e-01 -7.478930872e-01 3.98 -7.211923487e-01 -7.211923487e-01 4.00 -6.951249097e-01 -6.951249097e-01 4.02 -6.696763554e-01 -6.696763554e-01 4.04 -6.448347995e-01 -6.448347995e-01 4.06 -6.205911633e-01 -6.205911633e-01 4.08 -5.969393464e-01 -5.969393464e-01 4.10 -5.738762515e-01 -5.738762515e-01 4.12 -5.514016558e-01 -5.514016558e-01 4.14 -5.295179309e-01 -5.295179309e-01 4.16 -5.082296757e-01 -5.082296757e-01 4.18 -4.875432967e-01 -4.875432967e-01 4.20 -4.674665806e-01 -4.674665806e-01 4.22 -4.480082647e-01 -4.480082647e-01 4.24 -4.291775704e-01 -4.291775704e-01 4.26 -4.109836307e-01 -4.109836307e-01 4.28 -3.934347464e-01 -3.934347464e-01 4.30 -3.765374361e-01 -3.765374361e-01 4.32 -3.602953162e-01 -3.602953162e-01 4.34 -3.447079186e-01 -3.447079186e-01 4.36 -3.297696141e-01 -3.297696141e-01 4.38 -3.154688174e-01 -3.154688174e-01 4.40 -3.017876176e-01 -3.017876176e-01 4.42 -2.887018999e-01 -2.887018999e-01 4.44 -2.761819429e-01 -2.761819429e-01 4.46 -2.641933994e-01 -2.641933994e-01 4.48 -2.526985273e-01 -2.526985273e-01 4.50 -2.416575298e-01 -2.416575298e-01 4.52 -2.310298785e-01 -2.310298785e-01 4.54 -2.207755338e-01 -2.207755338e-01 4.56 -2.108560068e-01 -2.108560068e-01 4.58 -2.012352453e-01 -2.012352453e-01 4.60 -1.918803420e-01 -1.918803420e-01 4.62 -1.827620810e-01 -1.827620810e-01 4.64 -1.738553347e-01 -1.738553347e-01 4.66 -1.651393275e-01 -1.651393275e-01 4.68 -1.565977734e-01 -1.565977734e-01 4.70 -1.482188962e-01 -1.482188962e-01 4.72 -1.399953373e-01 -1.399953373e-01 4.74 -1.319239637e-01 -1.319239637e-01 4.76 -1.240055926e-01 -1.240055926e-01 4.78 -1.162446563e-01 -1.162446563e-01 4.80 -1.086488343e-01 -1.086488343e-01 4.82 -1.012286802e-01 -1.012286802e-01 4.84 -9.399724779e-02 -9.399724779e-02 4.86 -8.696972832e-02 -8.696972832e-02 4.88 -8.016306733e-02 -8.016306733e-02 4.90 -7.359552744e-02 -7.359552744e-02 4.92 -6.728616259e-02 -6.728616259e-02 4.94 -6.125416729e-02 -6.125416729e-02 4.96 -5.551809521e-02 -5.551809521e-02 4.98 -5.009497780e-02 -5.009497780e-02 5.00 -4.499939842e-02 -4.499939842e-02 5.02 -4.024261135e-02 -4.024261135e-02 5.04 -3.583180769e-02 -3.583180769e-02 5.06 -3.176960979e-02 -3.176960979e-02 5.08 -2.805368557e-02 -2.805368557e-02 5.10 -2.467703744e-02 -2.467703744e-02 5.12 -2.162868358e-02 -2.162868358e-02 5.14 -1.889371463e-02 -1.889371463e-02 5.16 -1.645406709e-02 -1.645406709e-02 5.18 -1.428983150e-02 -1.428983150e-02 5.20 -1.237964078e-02 -1.237964078e-02 5.22 -1.070143696e-02 -1.070143696e-02 5.24 -9.233158356e-03 -9.233158356e-03 5.26 -7.953297064e-03 -7.953297064e-03 5.28 -6.841323001e-03 -6.841323001e-03 5.30 -5.877982208e-03 -5.877982208e-03 5.32 -5.045484241e-03 -5.045484241e-03 5.34 -4.327597119e-03 -4.327597119e-03 5.36 -3.709669116e-03 -3.709669116e-03 5.38 -3.178595638e-03 -3.178595638e-03 5.40 -2.722747284e-03 -2.722747284e-03 5.42 -2.331872573e-03 -2.331872573e-03 5.44 -1.996986101e-03 -1.996986101e-03 5.46 -1.710250369e-03 -1.710250369e-03 5.48 -1.464857313e-03 -1.464857313e-03 5.50 -1.254913747e-03 -1.254913747e-03 5.52 -1.075333446e-03 -1.075333446e-03 5.54 -9.217375027e-04 -9.217375027e-04 5.56 -7.903637314e-04 -7.903637314e-04 5.58 -6.779853108e-04 -6.779853108e-04 5.60 -5.818384519e-04 -5.818384519e-04 5.62 -4.995586083e-04 -4.995586083e-04 5.64 -4.291245951e-04 -4.291245951e-04 5.66 -3.688099056e-04 -3.688099056e-04 5.68 -3.171404913e-04 -3.171404913e-04 5.70 -2.728582856e-04 -2.728582856e-04 5.72 -2.348897887e-04 -2.348897887e-04 5.74 -2.023190810e-04 -2.023190810e-04 5.76 -1.743646904e-04 -1.743646904e-04 5.78 -1.503597967e-04 -1.503597967e-04 5.80 -1.297353175e-04 -1.297353175e-04 5.82 -1.120054705e-04 -1.120054705e-04 5.84 -9.675546129e-05 -9.675546129e-05 5.86 -8.363099175e-05 -8.363099175e-05 5.88 -7.232932245e-05 -7.232932245e-05 5.90 -6.259166318e-05 -6.259166318e-05 5.92 -5.419669479e-05 -5.419669479e-05 5.94 -4.695505488e-05 -4.695505488e-05 5.96 -4.070464402e-05 -4.070464402e-05 5.98 -3.530662995e-05 -3.530662995e-05 6.00 -3.064204555e-05 -3.064204555e-05