# 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 = AuCo2Ti # 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 2.187897195e+02 2.187897195e+02 1.30 2.018877298e+02 2.018877298e+02 1.32 1.862844412e+02 1.862844412e+02 1.34 1.718709076e+02 1.718709076e+02 1.36 1.585487606e+02 1.585487606e+02 1.38 1.462296285e+02 1.462296285e+02 1.40 1.348338555e+02 1.348338555e+02 1.42 1.242888513e+02 1.242888513e+02 1.44 1.145277479e+02 1.145277479e+02 1.46 1.054889487e+02 1.054889487e+02 1.48 9.711620883e+01 9.711620883e+01 1.50 8.935845696e+01 8.935845696e+01 1.52 8.216916377e+01 8.216916377e+01 1.54 7.550556585e+01 7.550556585e+01 1.56 6.932802891e+01 6.932802891e+01 1.58 6.359968135e+01 6.359968135e+01 1.60 5.828629330e+01 5.828629330e+01 1.62 5.335628033e+01 5.335628033e+01 1.64 4.878070017e+01 4.878070017e+01 1.66 4.453313690e+01 4.453313690e+01 1.68 4.058943237e+01 4.058943237e+01 1.70 3.692732829e+01 3.692732829e+01 1.72 3.352814405e+01 3.352814405e+01 1.74 3.038367130e+01 3.038367130e+01 1.76 2.747764101e+01 2.747764101e+01 1.78 2.479287003e+01 2.479287003e+01 1.80 2.231297057e+01 2.231297057e+01 1.82 2.002296328e+01 2.002296328e+01 1.84 1.790912019e+01 1.790912019e+01 1.86 1.595879904e+01 1.595879904e+01 1.88 1.416027858e+01 1.416027858e+01 1.90 1.250260499e+01 1.250260499e+01 1.92 1.097547143e+01 1.097547143e+01 1.94 9.569163332e+00 9.569163332e+00 1.96 8.274573728e+00 8.274573728e+00 1.98 7.083247325e+00 7.083247325e+00 2.00 5.987394785e+00 5.987394785e+00 2.02 4.979856831e+00 4.979856831e+00 2.04 4.054042039e+00 4.054042039e+00 2.06 3.203869262e+00 3.203869262e+00 2.08 2.423727501e+00 2.423727501e+00 2.10 1.708447591e+00 1.708447591e+00 2.12 1.053274372e+00 1.053274372e+00 2.14 4.538325652e-01 4.538325652e-01 2.16 -9.390918889e-02 -9.390918889e-02 2.18 -5.936693055e-01 -5.936693055e-01 2.20 -1.048878114e+00 -1.048878114e+00 2.22 -1.462702800e+00 -1.462702800e+00 2.24 -1.838077795e+00 -1.838077795e+00 2.26 -2.177740290e+00 -2.177740290e+00 2.28 -2.484263807e+00 -2.484263807e+00 2.30 -2.760080698e+00 -2.760080698e+00 2.32 -3.007488233e+00 -3.007488233e+00 2.34 -3.228640427e+00 -3.228640427e+00 2.36 -3.425536321e+00 -3.425536321e+00 2.38 -3.600015060e+00 -3.600015060e+00 2.40 -3.753763741e+00 -3.753763741e+00 2.42 -3.888336261e+00 -3.888336261e+00 2.44 -4.005176720e+00 -4.005176720e+00 2.46 -4.105641129e+00 -4.105641129e+00 2.48 -4.191013031e+00 -4.191013031e+00 2.50 -4.262512141e+00 -4.262512141e+00 2.52 -4.321338131e+00 -4.321338131e+00 2.54 -4.368604349e+00 -4.368604349e+00 2.56 -4.405282085e+00 -4.405282085e+00 2.58 -4.432326816e+00 -4.432326816e+00 2.60 -4.450728342e+00 -4.450728342e+00 2.62 -4.461275962e+00 -4.461275962e+00 2.64 -4.464685507e+00 -4.464685507e+00 2.66 -4.461603483e+00 -4.461603483e+00 2.68 -4.452567463e+00 -4.452567463e+00 2.70 -4.437890197e+00 -4.437890197e+00 2.72 -4.417833306e+00 -4.417833306e+00 2.74 -4.392657976e+00 -4.392657976e+00 2.76 -4.362563443e+00 -4.362563443e+00 2.78 -4.327684704e+00 -4.327684704e+00 2.80 -4.288188205e+00 -4.288188205e+00 2.82 -4.244270923e+00 -4.244270923e+00 2.84 -4.196148015e+00 -4.196148015e+00 2.86 -4.144051124e+00 -4.144051124e+00 2.88 -4.088229176e+00 -4.088229176e+00 2.90 -4.028945880e+00 -4.028945880e+00 2.92 -3.966478876e+00 -3.966478876e+00 2.94 -3.901120653e+00 -3.901120653e+00 2.96 -3.833181100e+00 -3.833181100e+00 2.98 -3.762990836e+00 -3.762990836e+00 3.00 -3.690903485e+00 -3.690903485e+00 3.02 -3.617294188e+00 -3.617294188e+00 3.04 -3.542551877e+00 -3.542551877e+00 3.06 -3.467064877e+00 -3.467064877e+00 3.08 -3.391201470e+00 -3.391201470e+00 3.10 -3.315290740e+00 -3.315290740e+00 3.12 -3.239608070e+00 -3.239608070e+00 3.14 -3.164369018e+00 -3.164369018e+00 3.16 -3.089731281e+00 -3.089731281e+00 3.18 -3.015803434e+00 -3.015803434e+00 3.20 -2.942656566e+00 -2.942656566e+00 3.22 -2.870336118e+00 -2.870336118e+00 3.24 -2.798871970e+00 -2.798871970e+00 3.26 -2.728285950e+00 -2.728285950e+00 3.28 -2.658596765e+00 -2.658596765e+00 3.30 -2.589822808e+00 -2.589822808e+00 3.32 -2.521983433e+00 -2.521983433e+00 3.34 -2.455099285e+00 -2.455099285e+00 3.36 -2.389192157e+00 -2.389192157e+00 3.38 -2.324284733e+00 -2.324284733e+00 3.40 -2.260400435e+00 -2.260400435e+00 3.42 -2.197563598e+00 -2.197563598e+00 3.44 -2.135799752e+00 -2.135799752e+00 3.46 -2.075136263e+00 -2.075136263e+00 3.48 -2.015602871e+00 -2.015602871e+00 3.50 -1.957231960e+00 -1.957231960e+00 3.52 -1.900058204e+00 -1.900058204e+00 3.54 -1.844117336e+00 -1.844117336e+00 3.56 -1.789443948e+00 -1.789443948e+00 3.58 -1.736068542e+00 -1.736068542e+00 3.60 -1.684014330e+00 -1.684014330e+00 3.62 -1.633294450e+00 -1.633294450e+00 3.64 -1.583910228e+00 -1.583910228e+00 3.66 -1.535850847e+00 -1.535850847e+00 3.68 -1.489094427e+00 -1.489094427e+00 3.70 -1.443610192e+00 -1.443610192e+00 3.72 -1.399361226e+00 -1.399361226e+00 3.74 -1.356307296e+00 -1.356307296e+00 3.76 -1.314407351e+00 -1.314407351e+00 3.78 -1.273621448e+00 -1.273621448e+00 3.80 -1.233912024e+00 -1.233912024e+00 3.82 -1.195244550e+00 -1.195244550e+00 3.84 -1.157587669e+00 -1.157587669e+00 3.86 -1.120912949e+00 -1.120912949e+00 3.88 -1.085194402e+00 -1.085194402e+00 3.90 -1.050407881e+00 -1.050407881e+00 3.92 -1.016530428e+00 -1.016530428e+00 3.94 -9.835397928e-01 -9.835397928e-01 3.96 -9.514138139e-01 -9.514138139e-01 3.98 -9.201301647e-01 -9.201301647e-01 4.00 -8.896661175e-01 -8.896661175e-01 4.02 -8.599984804e-01 -8.599984804e-01 4.04 -8.311036853e-01 -8.311036853e-01 4.06 -8.029580281e-01 -8.029580281e-01 4.08 -7.755380597e-01 -7.755380597e-01 4.10 -7.488210638e-01 -7.488210638e-01 4.12 -7.227859678e-01 -7.227859678e-01 4.14 -6.974137260e-01 -6.974137260e-01 4.16 -6.726884109e-01 -6.726884109e-01 4.18 -6.485979374e-01 -6.485979374e-01 4.20 -6.251347330e-01 -6.251347330e-01 4.22 -6.022961590e-01 -6.022961590e-01 4.24 -5.800845573e-01 -5.800845573e-01 4.26 -5.585068167e-01 -5.585068167e-01 4.28 -5.375734078e-01 -5.375734078e-01 4.30 -5.172969146e-01 -5.172969146e-01 4.32 -4.976901874e-01 -4.976901874e-01 4.34 -4.787643249e-01 -4.787643249e-01 4.36 -4.605267407e-01 -4.605267407e-01 4.38 -4.429795675e-01 -4.429795675e-01 4.40 -4.261185869e-01 -4.261185869e-01 4.42 -4.099327790e-01 -4.099327790e-01 4.44 -3.944044792e-01 -3.944044792e-01 4.46 -3.795100364e-01 -3.795100364e-01 4.48 -3.652208173e-01 -3.652208173e-01 4.50 -3.515043856e-01 -3.515043856e-01 4.52 -3.383257039e-01 -3.383257039e-01 4.54 -3.256482457e-01 -3.256482457e-01 4.56 -3.134349487e-01 -3.134349487e-01 4.58 -3.016489819e-01 -3.016489819e-01 4.60 -2.902543331e-01 -2.902543331e-01 4.62 -2.792162430e-01 -2.792162430e-01 4.64 -2.685015242e-01 -2.685015242e-01 4.66 -2.580788099e-01 -2.580788099e-01 4.68 -2.479187717e-01 -2.479187717e-01 4.70 -2.379943461e-01 -2.379943461e-01 4.72 -2.282809966e-01 -2.282809966e-01 4.74 -2.187570322e-01 -2.187570322e-01 4.76 -2.094039908e-01 -2.094039908e-01 4.78 -2.002070806e-01 -2.002070806e-01 4.80 -1.911556175e-01 -1.911556175e-01 4.82 -1.822436789e-01 -1.822436789e-01 4.84 -1.734702524e-01 -1.734702524e-01 4.86 -1.648397261e-01 -1.648397261e-01 4.88 -1.563619376e-01 -1.563619376e-01 4.90 -1.480519986e-01 -1.480519986e-01 4.92 -1.399297893e-01 -1.399297893e-01 4.94 -1.320190962e-01 -1.320190962e-01 4.96 -1.243464089e-01 -1.243464089e-01 4.98 -1.169394409e-01 -1.169394409e-01 5.00 -1.098254865e-01 -1.098254865e-01 5.02 -1.030297579e-01 -1.030297579e-01 5.04 -9.657385583e-02 -9.657385583e-02 5.06 -9.047451531e-02 -9.047451531e-02 5.08 -8.474261160e-02 -8.474261160e-02 5.10 -7.938285581e-02 -7.938285581e-02 5.12 -7.439406104e-02 -7.439406104e-02 5.14 -6.976919095e-02 -6.976919095e-02 5.16 -6.549606459e-02 -6.549606459e-02 5.18 -6.155820221e-02 -6.155820221e-02 5.20 -5.793578323e-02 -5.793578323e-02 5.22 -5.460712571e-02 -5.460712571e-02 5.24 -5.154921920e-02 -5.154921920e-02 5.26 -4.873853459e-02 -4.873853459e-02 5.28 -4.615172644e-02 -4.615172644e-02 5.30 -4.376617441e-02 -4.376617441e-02 5.32 -4.156037268e-02 -4.156037268e-02 5.34 -3.951418543e-02 -3.951418543e-02 5.36 -3.760899128e-02 -3.760899128e-02 5.38 -3.582774056e-02 -3.582774056e-02 5.40 -3.415494827e-02 -3.415494827e-02 5.42 -3.257664304e-02 -3.257664304e-02 5.44 -3.108028920e-02 -3.108028920e-02 5.46 -2.965469574e-02 -2.965469574e-02 5.48 -2.828992291e-02 -2.828992291e-02 5.50 -2.697719432e-02 -2.697719432e-02 5.52 -2.570882011e-02 -2.570882011e-02 5.54 -2.447813442e-02 -2.447813442e-02 5.56 -2.327944862e-02 -2.327944862e-02 5.58 -2.210801975e-02 -2.210801975e-02 5.60 -2.096003275e-02 -2.096003275e-02 5.62 -1.983259249e-02 -1.983259249e-02 5.64 -1.872372047e-02 -1.872372047e-02 5.66 -1.763235015e-02 -1.763235015e-02 5.68 -1.655831326e-02 -1.655831326e-02 5.70 -1.550230970e-02 -1.550230970e-02 5.72 -1.446585388e-02 -1.446585388e-02 5.74 -1.345119165e-02 -1.345119165e-02 5.76 -1.246118488e-02 -1.246118488e-02 5.78 -1.149907014e-02 -1.149907014e-02 5.80 -1.056843021e-02 -1.056843021e-02 5.82 -9.673042164e-03 -9.673042164e-03 5.84 -8.816574115e-03 -8.816574115e-03 5.86 -8.002389572e-03 -8.002389572e-03 5.88 -7.233373206e-03 -7.233373206e-03 5.90 -6.511790502e-03 -6.511790502e-03 5.92 -5.839190494e-03 -5.839190494e-03 5.94 -5.216356099e-03 -5.216356099e-03 5.96 -4.643301722e-03 -4.643301722e-03 5.98 -4.119313359e-03 -4.119313359e-03 6.00 -3.643023073e-03 -3.643023073e-03