# 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 = Au2CuZr # 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 3.136780819e+02 3.136780819e+02 1.30 2.913169828e+02 2.913169828e+02 1.32 2.705933617e+02 2.705933617e+02 1.34 2.513792909e+02 2.513792909e+02 1.36 2.335544341e+02 2.335544341e+02 1.38 2.170069452e+02 2.170069452e+02 1.40 2.016346221e+02 2.016346221e+02 1.42 1.873451971e+02 1.873451971e+02 1.44 1.740557576e+02 1.740557576e+02 1.46 1.616911754e+02 1.616911754e+02 1.48 1.501823196e+02 1.501823196e+02 1.50 1.394652793e+02 1.394652793e+02 1.52 1.294814985e+02 1.294814985e+02 1.54 1.201775680e+02 1.201775680e+02 1.56 1.115044882e+02 1.115044882e+02 1.58 1.034166685e+02 1.034166685e+02 1.60 9.587141414e+01 9.587141414e+01 1.62 8.882890057e+01 8.882890057e+01 1.64 8.225240025e+01 8.225240025e+01 1.66 7.610827007e+01 7.610827007e+01 1.68 7.036578309e+01 7.036578309e+01 1.70 6.499690692e+01 6.499690692e+01 1.72 5.997605440e+01 5.997605440e+01 1.74 5.527983247e+01 5.527983247e+01 1.76 5.088679989e+01 5.088679989e+01 1.78 4.677717575e+01 4.677717575e+01 1.80 4.293250069e+01 4.293250069e+01 1.82 3.933568808e+01 3.933568808e+01 1.84 3.597671491e+01 3.597671491e+01 1.86 3.285654145e+01 3.285654145e+01 1.88 2.995924407e+01 2.995924407e+01 1.90 2.726910540e+01 2.726910540e+01 1.92 2.477166877e+01 2.477166877e+01 1.94 2.245348271e+01 2.245348271e+01 1.96 2.030200082e+01 2.030200082e+01 1.98 1.830548938e+01 1.830548938e+01 2.00 1.645299432e+01 1.645299432e+01 2.02 1.473434313e+01 1.473434313e+01 2.04 1.314015641e+01 1.314015641e+01 2.06 1.166183241e+01 1.166183241e+01 2.08 1.029148326e+01 1.029148326e+01 2.10 9.021864591e+00 9.021864591e+00 2.12 7.846260320e+00 7.846260320e+00 2.14 6.758394228e+00 6.758394228e+00 2.16 5.752348548e+00 5.752348548e+00 2.18 4.822510756e+00 4.822510756e+00 2.20 3.963564367e+00 3.963564367e+00 2.22 3.170493502e+00 3.170493502e+00 2.24 2.438606072e+00 2.438606072e+00 2.26 1.763560317e+00 1.763560317e+00 2.28 1.141370249e+00 1.141370249e+00 2.30 5.684173357e-01 5.684173357e-01 2.32 4.141389844e-02 4.141389844e-02 2.34 -4.426552393e-01 -4.426552393e-01 2.36 -8.865834029e-01 -8.865834029e-01 2.38 -1.292994658e+00 -1.292994658e+00 2.40 -1.664377194e+00 -1.664377194e+00 2.42 -2.003103727e+00 -2.003103727e+00 2.44 -2.311431738e+00 -2.311431738e+00 2.46 -2.591503793e+00 -2.591503793e+00 2.48 -2.845340462e+00 -2.845340462e+00 2.50 -3.074837093e+00 -3.074837093e+00 2.52 -3.281768611e+00 -3.281768611e+00 2.54 -3.467803003e+00 -3.467803003e+00 2.56 -3.634576725e+00 -3.634576725e+00 2.58 -3.783581166e+00 -3.783581166e+00 2.60 -3.916169562e+00 -3.916169562e+00 2.62 -4.033638479e+00 -4.033638479e+00 2.64 -4.137213713e+00 -4.137213713e+00 2.66 -4.228033767e+00 -4.228033767e+00 2.68 -4.307141250e+00 -4.307141250e+00 2.70 -4.375472005e+00 -4.375472005e+00 2.72 -4.433747848e+00 -4.433747848e+00 2.74 -4.482545183e+00 -4.482545183e+00 2.76 -4.522405010e+00 -4.522405010e+00 2.78 -4.553829799e+00 -4.553829799e+00 2.80 -4.577287939e+00 -4.577287939e+00 2.82 -4.593203651e+00 -4.593203651e+00 2.84 -4.601970329e+00 -4.601970329e+00 2.86 -4.603957044e+00 -4.603957044e+00 2.88 -4.599535699e+00 -4.599535699e+00 2.90 -4.589252833e+00 -4.589252833e+00 2.92 -4.573478593e+00 -4.573478593e+00 2.94 -4.552348611e+00 -4.552348611e+00 2.96 -4.525993182e+00 -4.525993182e+00 2.98 -4.494607311e+00 -4.494607311e+00 3.00 -4.458439630e+00 -4.458439630e+00 3.02 -4.417781245e+00 -4.417781245e+00 3.04 -4.372952579e+00 -4.372952579e+00 3.06 -4.324301749e+00 -4.324301749e+00 3.08 -4.272195087e+00 -4.272195087e+00 3.10 -4.216997860e+00 -4.216997860e+00 3.12 -4.159051937e+00 -4.159051937e+00 3.14 -4.098684341e+00 -4.098684341e+00 3.16 -4.036192614e+00 -4.036192614e+00 3.18 -3.971850612e+00 -3.971850612e+00 3.20 -3.905907098e+00 -3.905907098e+00 3.22 -3.838588536e+00 -3.838588536e+00 3.24 -3.770103532e+00 -3.770103532e+00 3.26 -3.700648111e+00 -3.700648111e+00 3.28 -3.630410681e+00 -3.630410681e+00 3.30 -3.559575418e+00 -3.559575418e+00 3.32 -3.488323107e+00 -3.488323107e+00 3.34 -3.416829265e+00 -3.416829265e+00 3.36 -3.345260308e+00 -3.345260308e+00 3.38 -3.273769190e+00 -3.273769190e+00 3.40 -3.202490974e+00 -3.202490974e+00 3.42 -3.131545554e+00 -3.131545554e+00 3.44 -3.061031257e+00 -3.061031257e+00 3.46 -2.991031557e+00 -2.991031557e+00 3.48 -2.921616308e+00 -2.921616308e+00 3.50 -2.852844233e+00 -2.852844233e+00 3.52 -2.784764928e+00 -2.784764928e+00 3.54 -2.717420270e+00 -2.717420270e+00 3.56 -2.650845273e+00 -2.650845273e+00 3.58 -2.585068593e+00 -2.585068593e+00 3.60 -2.520112888e+00 -2.520112888e+00 3.62 -2.455995222e+00 -2.455995222e+00 3.64 -2.392727663e+00 -2.392727663e+00 3.66 -2.330318201e+00 -2.330318201e+00 3.68 -2.268772032e+00 -2.268772032e+00 3.70 -2.208093247e+00 -2.208093247e+00 3.72 -2.148286874e+00 -2.148286874e+00 3.74 -2.089361163e+00 -2.089361163e+00 3.76 -2.031329909e+00 -2.031329909e+00 3.78 -1.974214505e+00 -1.974214505e+00 3.80 -1.918045364e+00 -1.918045364e+00 3.82 -1.862862302e+00 -1.862862302e+00 3.84 -1.808713552e+00 -1.808713552e+00 3.86 -1.755653273e+00 -1.755653273e+00 3.88 -1.703737657e+00 -1.703737657e+00 3.90 -1.653020100e+00 -1.653020100e+00 3.92 -1.603544837e+00 -1.603544837e+00 3.94 -1.555347913e+00 -1.555347913e+00 3.96 -1.508445422e+00 -1.508445422e+00 3.98 -1.462838190e+00 -1.462838190e+00 4.00 -1.418510565e+00 -1.418510565e+00 4.02 -1.375432363e+00 -1.375432363e+00 4.04 -1.333561835e+00 -1.333561835e+00 4.06 -1.292849096e+00 -1.292849096e+00 4.08 -1.253239527e+00 -1.253239527e+00 4.10 -1.214672927e+00 -1.214672927e+00 4.12 -1.177102548e+00 -1.177102548e+00 4.14 -1.140471156e+00 -1.140471156e+00 4.16 -1.104730876e+00 -1.104730876e+00 4.18 -1.069839481e+00 -1.069839481e+00 4.20 -1.035761200e+00 -1.035761200e+00 4.22 -1.002467258e+00 -1.002467258e+00 4.24 -9.699361424e-01 -9.699361424e-01 4.26 -9.381536095e-01 -9.381536095e-01 4.28 -9.071124111e-01 -9.071124111e-01 4.30 -8.768117242e-01 -8.768117242e-01 4.32 -8.472562920e-01 -8.472562920e-01 4.34 -8.184552987e-01 -8.184552987e-01 4.36 -7.904210322e-01 -7.904210322e-01 4.38 -7.631674049e-01 -7.631674049e-01 4.40 -7.367084163e-01 -7.367084163e-01 4.42 -7.110566399e-01 -7.110566399e-01 4.44 -6.862218175e-01 -6.862218175e-01 4.46 -6.622096292e-01 -6.622096292e-01 4.48 -6.390207052e-01 -6.390207052e-01 4.50 -6.166499302e-01 -6.166499302e-01 4.52 -5.950860776e-01 -5.950860776e-01 4.54 -5.743117901e-01 -5.743117901e-01 4.56 -5.543038960e-01 -5.543038960e-01 4.58 -5.350340244e-01 -5.350340244e-01 4.60 -5.164694591e-01 -5.164694591e-01 4.62 -4.985741537e-01 -4.985741537e-01 4.64 -4.813098303e-01 -4.813098303e-01 4.66 -4.646370878e-01 -4.646370878e-01 4.68 -4.485164626e-01 -4.485164626e-01 4.70 -4.329094018e-01 -4.329094018e-01 4.72 -4.177791273e-01 -4.177791273e-01 4.74 -4.030913835e-01 -4.030913835e-01 4.76 -3.888150707e-01 -3.888150707e-01 4.78 -3.749227700e-01 -3.749227700e-01 4.80 -3.613880390e-01 -3.613880390e-01 4.82 -3.481987482e-01 -3.481987482e-01 4.84 -3.353368587e-01 -3.353368587e-01 4.86 -3.227927735e-01 -3.227927735e-01 4.88 -3.105614931e-01 -3.105614931e-01 4.90 -2.986423667e-01 -2.986423667e-01 4.92 -2.870386587e-01 -2.870386587e-01 4.94 -2.757569276e-01 -2.757569276e-01 4.96 -2.648062278e-01 -2.648062278e-01 4.98 -2.541971691e-01 -2.541971691e-01 5.00 -2.439408827e-01 -2.439408827e-01 5.02 -2.340479642e-01 -2.340479642e-01 5.04 -2.245274686e-01 -2.245274686e-01 5.06 -2.153860342e-01 -2.153860342e-01 5.08 -2.066271994e-01 -2.066271994e-01 5.10 -1.982509577e-01 -1.982509577e-01 5.12 -1.902535684e-01 -1.902535684e-01 5.14 -1.826276191e-01 -1.826276191e-01 5.16 -1.753623093e-01 -1.753623093e-01 5.18 -1.684439099e-01 -1.684439099e-01 5.20 -1.618563273e-01 -1.618563273e-01 5.22 -1.555815771e-01 -1.555815771e-01 5.24 -1.496009343e-01 -1.496009343e-01 5.26 -1.438953155e-01 -1.438953155e-01 5.28 -1.384457676e-01 -1.384457676e-01 5.30 -1.332340014e-01 -1.332340014e-01 5.32 -1.282428325e-01 -1.282428325e-01 5.34 -1.234565229e-01 -1.234565229e-01 5.36 -1.188610240e-01 -1.188610240e-01 5.38 -1.144441202e-01 -1.144441202e-01 5.40 -1.101954760e-01 -1.101954760e-01 5.42 -1.061065902e-01 -1.061065902e-01 5.44 -1.021706634e-01 -1.021706634e-01 5.46 -9.838238888e-02 -9.838238888e-02 5.48 -9.473768099e-02 -9.473768099e-02 5.50 -9.123336042e-02 -9.123336042e-02 5.52 -8.786682023e-02 -8.786682023e-02 5.54 -8.463569794e-02 -8.463569794e-02 5.56 -8.153757798e-02 -8.153757798e-02 5.58 -7.856974542e-02 -7.856974542e-02 5.60 -7.572898465e-02 -7.572898465e-02 5.62 -7.301139062e-02 -7.301139062e-02 5.64 -7.041261487e-02 -7.041261487e-02 5.66 -6.792771175e-02 -6.792771175e-02 5.68 -6.555117498e-02 -6.555117498e-02 5.70 -6.327704901e-02 -6.327704901e-02 5.72 -6.109905635e-02 -6.109905635e-02 5.74 -5.901072679e-02 -5.901072679e-02 5.76 -5.700551817e-02 -5.700551817e-02 5.78 -5.507692157e-02 -5.507692157e-02 5.80 -5.321854739e-02 -5.321854739e-02 5.82 -5.142419154e-02 -5.142419154e-02 5.84 -4.968788296e-02 -4.968788296e-02 5.86 -4.800391522e-02 -4.800391522e-02 5.88 -4.636686549e-02 -4.636686549e-02 5.90 -4.477160461e-02 -4.477160461e-02 5.92 -4.321330196e-02 -4.321330196e-02 5.94 -4.168742828e-02 -4.168742828e-02 5.96 -4.018975956e-02 -4.018975956e-02 5.98 -3.871638433e-02 -3.871638433e-02 6.00 -3.726371631e-02 -3.726371631e-02