# 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 = AuCu2Ti # 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 1.910678124e+02 1.910678124e+02 1.30 1.763976043e+02 1.763976043e+02 1.32 1.628432594e+02 1.628432594e+02 1.34 1.503149162e+02 1.503149162e+02 1.36 1.387300200e+02 1.387300200e+02 1.38 1.280129063e+02 1.280129063e+02 1.40 1.180942464e+02 1.180942464e+02 1.42 1.089103187e+02 1.089103187e+02 1.44 1.004024156e+02 1.004024156e+02 1.46 9.251672839e+01 9.251672839e+01 1.48 8.520450373e+01 8.520450373e+01 1.50 7.842195853e+01 7.842195853e+01 1.52 7.212962911e+01 7.212962911e+01 1.54 6.629127535e+01 6.629127535e+01 1.56 6.087287171e+01 6.087287171e+01 1.58 5.584222757e+01 5.584222757e+01 1.60 5.116929652e+01 5.116929652e+01 1.62 4.682672617e+01 4.682672617e+01 1.64 4.279011020e+01 4.279011020e+01 1.66 3.903773652e+01 3.903773652e+01 1.68 3.555516097e+01 3.555516097e+01 1.70 3.233350359e+01 3.233350359e+01 1.72 2.935464281e+01 2.935464281e+01 1.74 2.660119862e+01 2.660119862e+01 1.76 2.405705503e+01 2.405705503e+01 1.78 2.170730834e+01 2.170730834e+01 1.80 1.953805510e+01 1.953805510e+01 1.82 1.753620013e+01 1.753620013e+01 1.84 1.568936566e+01 1.568936566e+01 1.86 1.398589864e+01 1.398589864e+01 1.88 1.241489208e+01 1.241489208e+01 1.90 1.096616781e+01 1.096616781e+01 1.92 9.630232811e+00 9.630232811e+00 1.94 8.398259065e+00 8.398259065e+00 1.96 7.262113975e+00 7.262113975e+00 1.98 6.214416613e+00 6.214416613e+00 2.00 5.248557278e+00 5.248557278e+00 2.02 4.358640306e+00 4.358640306e+00 2.04 3.539365210e+00 3.539365210e+00 2.06 2.785894769e+00 2.785894769e+00 2.08 2.093752041e+00 2.093752041e+00 2.10 1.458758875e+00 1.458758875e+00 2.12 8.770040135e-01 8.770040135e-01 2.14 3.448208757e-01 3.448208757e-01 2.16 -1.412349651e-01 -1.412349651e-01 2.18 -5.844089555e-01 -5.844089555e-01 2.20 -9.877670844e-01 -9.877670844e-01 2.22 -1.354209655e+00 -1.354209655e+00 2.24 -1.686480496e+00 -1.686480496e+00 2.26 -1.987176151e+00 -1.987176151e+00 2.28 -2.258757785e+00 -2.258757785e+00 2.30 -2.503562268e+00 -2.503562268e+00 2.32 -2.723803634e+00 -2.723803634e+00 2.34 -2.921557782e+00 -2.921557782e+00 2.36 -3.098735826e+00 -3.098735826e+00 2.38 -3.257059337e+00 -3.257059337e+00 2.40 -3.398052270e+00 -3.398052270e+00 2.42 -3.523054724e+00 -3.523054724e+00 2.44 -3.633252945e+00 -3.633252945e+00 2.46 -3.729720416e+00 -3.729720416e+00 2.48 -3.813498763e+00 -3.813498763e+00 2.50 -3.885464449e+00 -3.885464449e+00 2.52 -3.946431976e+00 -3.946431976e+00 2.54 -3.997195184e+00 -3.997195184e+00 2.56 -4.038525657e+00 -4.038525657e+00 2.58 -4.071169981e+00 -4.071169981e+00 2.60 -4.095847140e+00 -4.095847140e+00 2.62 -4.113233873e+00 -4.113233873e+00 2.64 -4.123949801e+00 -4.123949801e+00 2.66 -4.128463268e+00 -4.128463268e+00 2.68 -4.127210343e+00 -4.127210343e+00 2.70 -4.120657226e+00 -4.120657226e+00 2.72 -4.109669443e+00 -4.109669443e+00 2.74 -4.094456193e+00 -4.094456193e+00 2.76 -4.074993380e+00 -4.074993380e+00 2.78 -4.051320286e+00 -4.051320286e+00 2.80 -4.023515314e+00 -4.023515314e+00 2.82 -3.991677937e+00 -3.991677937e+00 2.84 -3.955927551e+00 -3.955927551e+00 2.86 -3.916402246e+00 -3.916402246e+00 2.88 -3.873277533e+00 -3.873277533e+00 2.90 -3.826785927e+00 -3.826785927e+00 2.92 -3.777178330e+00 -3.777178330e+00 2.94 -3.724720480e+00 -3.724720480e+00 2.96 -3.669694733e+00 -3.669694733e+00 2.98 -3.612400335e+00 -3.612400335e+00 3.00 -3.553152001e+00 -3.553152001e+00 3.02 -3.492276037e+00 -3.492276037e+00 3.04 -3.430103039e+00 -3.430103039e+00 3.06 -3.366957234e+00 -3.366957234e+00 3.08 -3.303143137e+00 -3.303143137e+00 3.10 -3.238932832e+00 -3.238932832e+00 3.12 -3.174555952e+00 -3.174555952e+00 3.14 -3.110194733e+00 -3.110194733e+00 3.16 -3.045983856e+00 -3.045983856e+00 3.18 -2.982014961e+00 -2.982014961e+00 3.20 -2.918343570e+00 -2.918343570e+00 3.22 -2.854997148e+00 -2.854997148e+00 3.24 -2.791983109e+00 -2.791983109e+00 3.26 -2.729296173e+00 -2.729296173e+00 3.28 -2.666924792e+00 -2.666924792e+00 3.30 -2.604856592e+00 -2.604856592e+00 3.32 -2.543082827e+00 -2.543082827e+00 3.34 -2.481601805e+00 -2.481601805e+00 3.36 -2.420421301e+00 -2.420421301e+00 3.38 -2.359559951e+00 -2.359559951e+00 3.40 -2.299047717e+00 -2.299047717e+00 3.42 -2.238925647e+00 -2.238925647e+00 3.44 -2.179244915e+00 -2.179244915e+00 3.46 -2.120065619e+00 -2.120065619e+00 3.48 -2.061455203e+00 -2.061455203e+00 3.50 -2.003486583e+00 -2.003486583e+00 3.52 -1.946235876e+00 -1.946235876e+00 3.54 -1.889779589e+00 -1.889779589e+00 3.56 -1.834191295e+00 -1.834191295e+00 3.58 -1.779538007e+00 -1.779538007e+00 3.60 -1.725876739e+00 -1.725876739e+00 3.62 -1.673251856e+00 -1.673251856e+00 3.64 -1.621693805e+00 -1.621693805e+00 3.66 -1.571219503e+00 -1.571219503e+00 3.68 -1.521834352e+00 -1.521834352e+00 3.70 -1.473535478e+00 -1.473535478e+00 3.72 -1.426315607e+00 -1.426315607e+00 3.74 -1.380166965e+00 -1.380166965e+00 3.76 -1.335084619e+00 -1.335084619e+00 3.78 -1.291068855e+00 -1.291068855e+00 3.80 -1.248126289e+00 -1.248126289e+00 3.82 -1.206269607e+00 -1.206269607e+00 3.84 -1.165516013e+00 -1.165516013e+00 3.86 -1.125884597e+00 -1.125884597e+00 3.88 -1.087393063e+00 -1.087393063e+00 3.90 -1.050054318e+00 -1.050054318e+00 3.92 -1.013873411e+00 -1.013873411e+00 3.94 -9.788454095e-01 -9.788454095e-01 3.96 -9.449540887e-01 -9.449540887e-01 3.98 -9.121719836e-01 -9.121719836e-01 4.00 -8.804612739e-01 -8.804612739e-01 4.02 -8.497754050e-01 -8.497754050e-01 4.04 -8.200611139e-01 -8.200611139e-01 4.06 -7.912605869e-01 -7.912605869e-01 4.08 -7.633135440e-01 -7.633135440e-01 4.10 -7.361590671e-01 -7.361590671e-01 4.12 -7.097374974e-01 -7.097374974e-01 4.14 -6.839914595e-01 -6.839914595e-01 4.16 -6.588673667e-01 -6.588673667e-01 4.18 -6.343164393e-01 -6.343164393e-01 4.20 -6.102957022e-01 -6.102957022e-01 4.22 -5.867689152e-01 -5.867689152e-01 4.24 -5.637074329e-01 -5.637074329e-01 4.26 -5.410909715e-01 -5.410909715e-01 4.28 -5.189082291e-01 -5.189082291e-01 4.30 -4.971572935e-01 -4.971572935e-01 4.32 -4.758457559e-01 -4.758457559e-01 4.34 -4.549904492e-01 -4.549904492e-01 4.36 -4.346167352e-01 -4.346167352e-01 4.38 -4.147572910e-01 -4.147572910e-01 4.40 -3.954503774e-01 -3.954503774e-01 4.42 -3.767376289e-01 -3.767376289e-01 4.44 -3.586614672e-01 -3.586614672e-01 4.46 -3.412623080e-01 -3.412623080e-01 4.48 -3.245757861e-01 -3.245757861e-01 4.50 -3.086302478e-01 -3.086302478e-01 4.52 -2.934447503e-01 -2.934447503e-01 4.54 -2.790277506e-01 -2.790277506e-01 4.56 -2.653765800e-01 -2.653765800e-01 4.58 -2.524777038e-01 -2.524777038e-01 4.60 -2.403076679e-01 -2.403076679e-01 4.62 -2.288345717e-01 -2.288345717e-01 4.64 -2.180198711e-01 -2.180198711e-01 4.66 -2.078203156e-01 -2.078203156e-01 4.68 -1.981898546e-01 -1.981898546e-01 4.70 -1.890813913e-01 -1.890813913e-01 4.72 -1.804482939e-01 -1.804482939e-01 4.74 -1.722453944e-01 -1.722453944e-01 4.76 -1.644306488e-01 -1.644306488e-01 4.78 -1.569655646e-01 -1.569655646e-01 4.80 -1.498155087e-01 -1.498155087e-01 4.82 -1.429502994e-01 -1.429502994e-01 4.84 -1.363441721e-01 -1.363441721e-01 4.86 -1.299760730e-01 -1.299760730e-01 4.88 -1.238295796e-01 -1.238295796e-01 4.90 -1.178927489e-01 -1.178927489e-01 4.92 -1.121578413e-01 -1.121578413e-01 4.94 -1.066209157e-01 -1.066209157e-01 4.96 -1.012812969e-01 -1.012812969e-01 4.98 -9.614092219e-02 -9.614092219e-02 5.00 -9.120358918e-02 -9.120358918e-02 5.02 -8.647414019e-02 -8.647414019e-02 5.04 -8.195763029e-02 -8.195763029e-02 5.06 -7.765853551e-02 -7.765853551e-02 5.08 -7.358005221e-02 -7.358005221e-02 5.10 -6.972340580e-02 -6.972340580e-02 5.12 -6.608782114e-02 -6.608782114e-02 5.14 -6.267023564e-02 -6.267023564e-02 5.16 -5.946521388e-02 -5.946521388e-02 5.18 -5.646513569e-02 -5.646513569e-02 5.20 -5.366050732e-02 -5.366050732e-02 5.22 -5.104034936e-02 -5.104034936e-02 5.24 -4.859261652e-02 -4.859261652e-02 5.26 -4.630461026e-02 -4.630461026e-02 5.28 -4.416335549e-02 -4.416335549e-02 5.30 -4.215592275e-02 -4.215592275e-02 5.32 -4.026968721e-02 -4.026968721e-02 5.34 -3.849252383e-02 -3.849252383e-02 5.36 -3.681294338e-02 -3.681294338e-02 5.38 -3.522017801e-02 -3.522017801e-02 5.40 -3.370422619e-02 -3.370422619e-02 5.42 -3.225586750e-02 -3.225586750e-02 5.44 -3.086665699e-02 -3.086665699e-02 5.46 -2.952890776e-02 -2.952890776e-02 5.48 -2.823566895e-02 -2.823566895e-02 5.50 -2.698070488e-02 -2.698070488e-02 5.52 -2.575847968e-02 -2.575847968e-02 5.54 -2.456415015e-02 -2.456415015e-02 5.56 -2.339356831e-02 -2.339356831e-02 5.58 -2.224329310e-02 -2.224329310e-02 5.60 -2.111061055e-02 -2.111061055e-02 5.62 -1.999355848e-02 -1.999355848e-02 5.64 -1.889095147e-02 -1.889095147e-02 5.66 -1.780240015e-02 -1.780240015e-02 5.68 -1.672831782e-02 -1.672831782e-02 5.70 -1.566990729e-02 -1.566990729e-02 5.72 -1.462912101e-02 -1.462912101e-02 5.74 -1.360858919e-02 -1.360858919e-02 5.76 -1.261151292e-02 -1.261151292e-02 5.78 -1.164142338e-02 -1.164142338e-02 5.80 -1.070216725e-02 -1.070216725e-02 5.82 -9.797760431e-03 -9.797760431e-03 5.84 -8.932080382e-03 -8.932080382e-03 5.86 -8.108671675e-03 -8.108671675e-03 5.88 -7.330572559e-03 -7.330572559e-03 5.90 -6.600175419e-03 -6.600175419e-03 5.92 -5.919130523e-03 -5.919130523e-03 5.94 -5.288297747e-03 -5.288297747e-03 5.96 -4.707746003e-03 -4.707746003e-03 5.98 -4.176795559e-03 -4.176795559e-03 6.00 -3.694095065e-03 -3.694095065e-03