# 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 = AlCu2Pb # 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 1.558334834e+02 1.558334834e+02 1.30 1.448237187e+02 1.448237187e+02 1.32 1.346028023e+02 1.346028023e+02 1.34 1.251126018e+02 1.251126018e+02 1.36 1.162972132e+02 1.162972132e+02 1.38 1.081030603e+02 1.081030603e+02 1.40 1.004804097e+02 1.004804097e+02 1.42 9.338464813e+01 9.338464813e+01 1.44 8.677619689e+01 8.677619689e+01 1.46 8.061929412e+01 8.061929412e+01 1.48 7.488078004e+01 7.488078004e+01 1.50 6.952971729e+01 6.952971729e+01 1.52 6.453757696e+01 6.453757696e+01 1.54 5.987821411e+01 5.987821411e+01 1.56 5.552744944e+01 5.552744944e+01 1.58 5.146272810e+01 5.146272810e+01 1.60 4.766648457e+01 4.766648457e+01 1.62 4.412402396e+01 4.412402396e+01 1.64 4.081912885e+01 4.081912885e+01 1.66 3.773589362e+01 3.773589362e+01 1.68 3.485949518e+01 3.485949518e+01 1.70 3.217627769e+01 3.217627769e+01 1.72 2.967359873e+01 2.967359873e+01 1.74 2.733969933e+01 2.733969933e+01 1.76 2.516355855e+01 2.516355855e+01 1.78 2.313475650e+01 2.313475650e+01 1.80 2.124337980e+01 2.124337980e+01 1.82 1.948002167e+01 1.948002167e+01 1.84 1.783585082e+01 1.783585082e+01 1.86 1.630269842e+01 1.630269842e+01 1.88 1.487310293e+01 1.487310293e+01 1.90 1.354027626e+01 1.354027626e+01 1.92 1.229800303e+01 1.229800303e+01 1.94 1.114050920e+01 1.114050920e+01 1.96 1.006231792e+01 1.006231792e+01 1.98 9.058158639e+00 9.058158639e+00 2.00 8.122959395e+00 8.122959395e+00 2.02 7.251919794e+00 7.251919794e+00 2.04 6.440606597e+00 6.440606597e+00 2.06 5.685008039e+00 5.685008039e+00 2.08 4.981519288e+00 4.981519288e+00 2.10 4.326876370e+00 4.326876370e+00 2.12 3.718076419e+00 3.718076419e+00 2.14 3.152304748e+00 3.152304748e+00 2.16 2.626886073e+00 2.626886073e+00 2.18 2.139259061e+00 2.139259061e+00 2.20 1.686970147e+00 1.686970147e+00 2.22 1.267684402e+00 1.267684402e+00 2.24 8.792038800e-01 8.792038800e-01 2.26 5.194842048e-01 5.194842048e-01 2.28 1.866371489e-01 1.866371489e-01 2.30 -1.210791222e-01 -1.210791222e-01 2.32 -4.052883576e-01 -4.052883576e-01 2.34 -6.675118778e-01 -6.675118778e-01 2.36 -9.091826310e-01 -9.091826310e-01 2.38 -1.131640709e+00 -1.131640709e+00 2.40 -1.336123925e+00 -1.336123925e+00 2.42 -1.523761782e+00 -1.523761782e+00 2.44 -1.695578590e+00 -1.695578590e+00 2.46 -1.852506342e+00 -1.852506342e+00 2.48 -1.995404629e+00 -1.995404629e+00 2.50 -2.125084161e+00 -2.125084161e+00 2.52 -2.242330751e+00 -2.242330751e+00 2.54 -2.347926750e+00 -2.347926750e+00 2.56 -2.442666766e+00 -2.442666766e+00 2.58 -2.527364343e+00 -2.527364343e+00 2.60 -2.602899743e+00 -2.602899743e+00 2.62 -2.670869791e+00 -2.670869791e+00 2.64 -2.732263821e+00 -2.732263821e+00 2.66 -2.787183286e+00 -2.787183286e+00 2.68 -2.835764060e+00 -2.835764060e+00 2.70 -2.878188871e+00 -2.878188871e+00 2.72 -2.914671754e+00 -2.914671754e+00 2.74 -2.945444892e+00 -2.945444892e+00 2.76 -2.970745634e+00 -2.970745634e+00 2.78 -2.990806267e+00 -2.990806267e+00 2.80 -3.005875573e+00 -3.005875573e+00 2.82 -3.016200443e+00 -3.016200443e+00 2.84 -3.021992687e+00 -3.021992687e+00 2.86 -3.023435449e+00 -3.023435449e+00 2.88 -3.020694381e+00 -3.020694381e+00 2.90 -3.013928974e+00 -3.013928974e+00 2.92 -3.003302778e+00 -3.003302778e+00 2.94 -2.988992020e+00 -2.988992020e+00 2.96 -2.971192668e+00 -2.971192668e+00 2.98 -2.950125957e+00 -2.950125957e+00 3.00 -2.926042040e+00 -2.926042040e+00 3.02 -2.899220929e+00 -2.899220929e+00 3.04 -2.869969026e+00 -2.869969026e+00 3.06 -2.838614165e+00 -2.838614165e+00 3.08 -2.805501028e+00 -2.805501028e+00 3.10 -2.770976139e+00 -2.770976139e+00 3.12 -2.735318328e+00 -2.735318328e+00 3.14 -2.698775715e+00 -2.698775715e+00 3.16 -2.661554807e+00 -2.661554807e+00 3.18 -2.623819231e+00 -2.623819231e+00 3.20 -2.585689268e+00 -2.585689268e+00 3.22 -2.547245652e+00 -2.547245652e+00 3.24 -2.508535468e+00 -2.508535468e+00 3.26 -2.469578790e+00 -2.469578790e+00 3.28 -2.430371809e+00 -2.430371809e+00 3.30 -2.390895164e+00 -2.390895164e+00 3.32 -2.351126066e+00 -2.351126066e+00 3.34 -2.311044316e+00 -2.311044316e+00 3.36 -2.270637056e+00 -2.270637056e+00 3.38 -2.229902088e+00 -2.229902088e+00 3.40 -2.188849469e+00 -2.188849469e+00 3.42 -2.147502449e+00 -2.147502449e+00 3.44 -2.105895379e+00 -2.105895379e+00 3.46 -2.064072482e+00 -2.064072482e+00 3.48 -2.022085087e+00 -2.022085087e+00 3.50 -1.979988836e+00 -1.979988836e+00 3.52 -1.937841011e+00 -1.937841011e+00 3.54 -1.895698198e+00 -1.895698198e+00 3.56 -1.853614484e+00 -1.853614484e+00 3.58 -1.811640283e+00 -1.811640283e+00 3.60 -1.769821813e+00 -1.769821813e+00 3.62 -1.728201204e+00 -1.728201204e+00 3.64 -1.686817161e+00 -1.686817161e+00 3.66 -1.645706076e+00 -1.645706076e+00 3.68 -1.604903413e+00 -1.604903413e+00 3.70 -1.564445212e+00 -1.564445212e+00 3.72 -1.524369493e+00 -1.524369493e+00 3.74 -1.484717367e+00 -1.484717367e+00 3.76 -1.445533645e+00 -1.445533645e+00 3.78 -1.406866802e+00 -1.406866802e+00 3.80 -1.368768169e+00 -1.368768169e+00 3.82 -1.331290335e+00 -1.331290335e+00 3.84 -1.294484844e+00 -1.294484844e+00 3.86 -1.258399364e+00 -1.258399364e+00 3.88 -1.223074665e+00 -1.223074665e+00 3.90 -1.188541768e+00 -1.188541768e+00 3.92 -1.154819275e+00 -1.154819275e+00 3.94 -1.121913524e+00 -1.121913524e+00 3.96 -1.089815677e+00 -1.089815677e+00 3.98 -1.058504056e+00 -1.058504056e+00 4.00 -1.027945099e+00 -1.027945099e+00 4.02 -9.980953705e-01 -9.980953705e-01 4.04 -9.689038848e-01 -9.689038848e-01 4.06 -9.403145211e-01 -9.403145211e-01 4.08 -9.122683632e-01 -9.122683632e-01 4.10 -8.847049259e-01 -8.847049259e-01 4.12 -8.575682303e-01 -8.575682303e-01 4.14 -8.308023517e-01 -8.308023517e-01 4.16 -8.043577104e-01 -8.043577104e-01 4.18 -7.781916666e-01 -7.781916666e-01 4.20 -7.522702493e-01 -7.522702493e-01 4.22 -7.265697935e-01 -7.265697935e-01 4.24 -7.010783958e-01 -7.010783958e-01 4.26 -6.757970646e-01 -6.757970646e-01 4.28 -6.507404192e-01 -6.507404192e-01 4.30 -6.259367999e-01 -6.259367999e-01 4.32 -6.014276826e-01 -6.014276826e-01 4.34 -5.772663436e-01 -5.772663436e-01 4.36 -5.535157865e-01 -5.535157865e-01 4.38 -5.302460101e-01 -5.302460101e-01 4.40 -5.075307562e-01 -5.075307562e-01 4.42 -4.854439233e-01 -4.854439233e-01 4.44 -4.640558671e-01 -4.640558671e-01 4.46 -4.434298280e-01 -4.434298280e-01 4.48 -4.236187331e-01 -4.236187331e-01 4.50 -4.046626051e-01 -4.046626051e-01 4.52 -3.865867646e-01 -3.865867646e-01 4.54 -3.694009494e-01 -3.694009494e-01 4.56 -3.530993795e-01 -3.530993795e-01 4.58 -3.376617037e-01 -3.376617037e-01 4.60 -3.230546778e-01 -3.230546778e-01 4.62 -3.092343709e-01 -3.092343709e-01 4.64 -2.961486649e-01 -2.961486649e-01 4.66 -2.837398386e-01 -2.837398386e-01 4.68 -2.719470700e-01 -2.719470700e-01 4.70 -2.607087029e-01 -2.607087029e-01 4.72 -2.499642158e-01 -2.499642158e-01 4.74 -2.396558802e-01 -2.396558802e-01 4.76 -2.297298510e-01 -2.297298510e-01 4.78 -2.201371590e-01 -2.201371590e-01 4.80 -2.108352878e-01 -2.108352878e-01 4.82 -2.017905740e-01 -2.017905740e-01 4.84 -1.929734287e-01 -1.929734287e-01 4.86 -1.843622864e-01 -1.843622864e-01 4.88 -1.759427115e-01 -1.759427115e-01 4.90 -1.677072093e-01 -1.677072093e-01 4.92 -1.596547863e-01 -1.596547863e-01 4.94 -1.517902580e-01 -1.517902580e-01 4.96 -1.441233168e-01 -1.441233168e-01 4.98 -1.366673960e-01 -1.366673960e-01 5.00 -1.294383841e-01 -1.294383841e-01 5.02 -1.224532695e-01 -1.224532695e-01 5.04 -1.157288064e-01 -1.157288064e-01 5.06 -1.092802972e-01 -1.092802972e-01 5.08 -1.031205750e-01 -1.031205750e-01 5.10 -9.725924920e-02 -9.725924920e-02 5.12 -9.170224803e-02 -9.170224803e-02 5.14 -8.645165666e-02 -8.645165666e-02 5.16 -8.150582217e-02 -8.150582217e-02 5.18 -7.685967428e-02 -7.685967428e-02 5.20 -7.250519809e-02 -7.250519809e-02 5.22 -6.843199186e-02 -6.843199186e-02 5.24 -6.462784874e-02 -6.462784874e-02 5.26 -6.107930428e-02 -6.107930428e-02 5.28 -5.777204336e-02 -5.777204336e-02 5.30 -5.469152789e-02 -5.469152789e-02 5.32 -5.182324196e-02 -5.182324196e-02 5.34 -4.915288783e-02 -4.915288783e-02 5.36 -4.666655396e-02 -4.666655396e-02 5.38 -4.435082405e-02 -4.435082405e-02 5.40 -4.219284249e-02 -4.219284249e-02 5.42 -4.018034965e-02 -4.018034965e-02 5.44 -3.830169850e-02 -3.830169850e-02 5.46 -3.654586028e-02 -3.654586028e-02 5.48 -3.490242451e-02 -3.490242451e-02 5.50 -3.336159588e-02 -3.336159588e-02 5.52 -3.191418895e-02 -3.191418895e-02 5.54 -3.055162061e-02 -3.055162061e-02 5.56 -2.926589989e-02 -2.926589989e-02 5.58 -2.804961453e-02 -2.804961453e-02 5.60 -2.689591430e-02 -2.689591430e-02 5.62 -2.579849111e-02 -2.579849111e-02 5.64 -2.475155666e-02 -2.475155666e-02 5.66 -2.374981802e-02 -2.374981802e-02 5.68 -2.278845250e-02 -2.278845250e-02 5.70 -2.186308285e-02 -2.186308285e-02 5.72 -2.096975338e-02 -2.096975338e-02 5.74 -2.010490816e-02 -2.010490816e-02 5.76 -1.926537182e-02 -1.926537182e-02 5.78 -1.844833350e-02 -1.844833350e-02 5.80 -1.765133407e-02 -1.765133407e-02 5.82 -1.687225656e-02 -1.687225656e-02 5.84 -1.610931962e-02 -1.610931962e-02 5.86 -1.536107318e-02 -1.536107318e-02 5.88 -1.462639559e-02 -1.462639559e-02 5.90 -1.390449102e-02 -1.390449102e-02 5.92 -1.319488594e-02 -1.319488594e-02 5.94 -1.249741834e-02 -1.249741834e-02 5.96 -1.181217215e-02 -1.181217215e-02 5.98 -1.113958100e-02 -1.113958100e-02 6.00 -1.048037109e-02 -1.048037109e-02