# 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 = AuMg2Zr # 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 4.422937897e+02 4.422937897e+02 1.30 4.108624107e+02 4.108624107e+02 1.32 3.817330640e+02 3.817330640e+02 1.34 3.547236767e+02 3.547236767e+02 1.36 3.296695664e+02 3.296695664e+02 1.38 3.064209029e+02 3.064209029e+02 1.40 2.848400152e+02 2.848400152e+02 1.42 2.647992660e+02 2.647992660e+02 1.44 2.461797327e+02 2.461797327e+02 1.46 2.288710927e+02 2.288710927e+02 1.48 2.127723098e+02 2.127723098e+02 1.50 1.977920396e+02 1.977920396e+02 1.52 1.838479528e+02 1.838479528e+02 1.54 1.708653180e+02 1.708653180e+02 1.56 1.587754127e+02 1.587754127e+02 1.58 1.475145407e+02 1.475145407e+02 1.60 1.370235704e+02 1.370235704e+02 1.62 1.272476958e+02 1.272476958e+02 1.64 1.181361162e+02 1.181361162e+02 1.66 1.096416811e+02 1.096416811e+02 1.68 1.017205918e+02 1.017205918e+02 1.70 9.433219720e+01 9.433219720e+01 1.72 8.743891974e+01 8.743891974e+01 1.74 8.100619677e+01 8.100619677e+01 1.76 7.500271767e+01 7.500271767e+01 1.78 6.940057315e+01 6.940057315e+01 1.80 6.418235867e+01 6.418235867e+01 1.82 5.932496233e+01 5.932496233e+01 1.84 5.480371942e+01 5.480371942e+01 1.86 5.059538088e+01 5.059538088e+01 1.88 4.667829221e+01 4.667829221e+01 1.90 4.303217678e+01 4.303217678e+01 1.92 3.963814527e+01 3.963814527e+01 1.94 3.647870458e+01 3.647870458e+01 1.96 3.353763534e+01 3.353763534e+01 1.98 3.079989793e+01 3.079989793e+01 2.00 2.825156539e+01 2.825156539e+01 2.02 2.587976165e+01 2.587976165e+01 2.04 2.367258585e+01 2.367258585e+01 2.06 2.161900785e+01 2.161900785e+01 2.08 1.970875593e+01 1.970875593e+01 2.10 1.793220032e+01 1.793220032e+01 2.12 1.628030844e+01 1.628030844e+01 2.14 1.474462013e+01 1.474462013e+01 2.16 1.331725947e+01 1.331725947e+01 2.18 1.199092312e+01 1.199092312e+01 2.20 1.075884696e+01 1.075884696e+01 2.22 9.614736382e+00 9.614736382e+00 2.24 8.552710112e+00 8.552710112e+00 2.26 7.567267449e+00 7.567267449e+00 2.28 6.653282990e+00 6.653282990e+00 2.30 5.806005899e+00 5.806005899e+00 2.32 5.021037285e+00 5.021037285e+00 2.34 4.294331249e+00 4.294331249e+00 2.36 3.622139432e+00 3.622139432e+00 2.38 3.000977892e+00 3.000977892e+00 2.40 2.427590754e+00 2.427590754e+00 2.42 1.898911954e+00 1.898911954e+00 2.44 1.412038824e+00 1.412038824e+00 2.46 9.641973224e-01 9.641973224e-01 2.48 5.526577282e-01 5.526577282e-01 2.50 1.748978003e-01 1.748978003e-01 2.52 -1.714623433e-01 -1.714623433e-01 2.54 -4.887049918e-01 -4.887049918e-01 2.56 -7.789905244e-01 -7.789905244e-01 2.58 -1.044337246e+00 -1.044337246e+00 2.60 -1.286611009e+00 -1.286611009e+00 2.62 -1.507501070e+00 -1.507501070e+00 2.64 -1.708417986e+00 -1.708417986e+00 2.66 -1.890607970e+00 -1.890607970e+00 2.68 -2.055246040e+00 -2.055246040e+00 2.70 -2.203438165e+00 -2.203438165e+00 2.72 -2.336228697e+00 -2.336228697e+00 2.74 -2.454607831e+00 -2.454607831e+00 2.76 -2.559517048e+00 -2.559517048e+00 2.78 -2.651849411e+00 -2.651849411e+00 2.80 -2.732458852e+00 -2.732458852e+00 2.82 -2.802180958e+00 -2.802180958e+00 2.84 -2.861802005e+00 -2.861802005e+00 2.86 -2.911964735e+00 -2.911964735e+00 2.88 -2.953281738e+00 -2.953281738e+00 2.90 -2.986339410e+00 -2.986339410e+00 2.92 -3.011699739e+00 -3.011699739e+00 2.94 -3.029902242e+00 -3.029902242e+00 2.96 -3.041465752e+00 -3.041465752e+00 2.98 -3.046889814e+00 -3.046889814e+00 3.00 -3.046651840e+00 -3.046651840e+00 3.02 -3.041207730e+00 -3.041207730e+00 3.04 -3.030995052e+00 -3.030995052e+00 3.06 -3.016440761e+00 -3.016440761e+00 3.08 -2.997946620e+00 -2.997946620e+00 3.10 -2.975897024e+00 -2.975897024e+00 3.12 -2.950652864e+00 -2.950652864e+00 3.14 -2.922560450e+00 -2.922560450e+00 3.16 -2.891936030e+00 -2.891936030e+00 3.18 -2.859077652e+00 -2.859077652e+00 3.20 -2.824263549e+00 -2.824263549e+00 3.22 -2.787754168e+00 -2.787754168e+00 3.24 -2.749794630e+00 -2.749794630e+00 3.26 -2.710617178e+00 -2.710617178e+00 3.28 -2.670442863e+00 -2.670442863e+00 3.30 -2.629481603e+00 -2.629481603e+00 3.32 -2.587930207e+00 -2.587930207e+00 3.34 -2.545968692e+00 -2.545968692e+00 3.36 -2.503756073e+00 -2.503756073e+00 3.38 -2.461427143e+00 -2.461427143e+00 3.40 -2.419090241e+00 -2.419090241e+00 3.42 -2.376833609e+00 -2.376833609e+00 3.44 -2.334721128e+00 -2.334721128e+00 3.46 -2.292802422e+00 -2.292802422e+00 3.48 -2.251115949e+00 -2.251115949e+00 3.50 -2.209692855e+00 -2.209692855e+00 3.52 -2.168559750e+00 -2.168559750e+00 3.54 -2.127740416e+00 -2.127740416e+00 3.56 -2.087273596e+00 -2.087273596e+00 3.58 -2.047190348e+00 -2.047190348e+00 3.60 -2.007484456e+00 -2.007484456e+00 3.62 -1.968152344e+00 -1.968152344e+00 3.64 -1.929192486e+00 -1.929192486e+00 3.66 -1.890604840e+00 -1.890604840e+00 3.68 -1.852390648e+00 -1.852390648e+00 3.70 -1.814552632e+00 -1.814552632e+00 3.72 -1.777095578e+00 -1.777095578e+00 3.74 -1.740026893e+00 -1.740026893e+00 3.76 -1.703343001e+00 -1.703343001e+00 3.78 -1.667020444e+00 -1.667020444e+00 3.80 -1.631047238e+00 -1.631047238e+00 3.82 -1.595425460e+00 -1.595425460e+00 3.84 -1.560170102e+00 -1.560170102e+00 3.86 -1.525306943e+00 -1.525306943e+00 3.88 -1.490869437e+00 -1.490869437e+00 3.90 -1.456894774e+00 -1.456894774e+00 3.92 -1.423418110e+00 -1.423418110e+00 3.94 -1.390474861e+00 -1.390474861e+00 3.96 -1.358087620e+00 -1.358087620e+00 3.98 -1.326271370e+00 -1.326271370e+00 4.00 -1.295031226e+00 -1.295031226e+00 4.02 -1.264363312e+00 -1.264363312e+00 4.04 -1.234256536e+00 -1.234256536e+00 4.06 -1.204694817e+00 -1.204694817e+00 4.08 -1.175659372e+00 -1.175659372e+00 4.10 -1.147127166e+00 -1.147127166e+00 4.12 -1.119087737e+00 -1.119087737e+00 4.14 -1.091520660e+00 -1.091520660e+00 4.16 -1.064413151e+00 -1.064413151e+00 4.18 -1.037756173e+00 -1.037756173e+00 4.20 -1.011544672e+00 -1.011544672e+00 4.22 -9.857775613e-01 -9.857775613e-01 4.24 -9.604574868e-01 -9.604574868e-01 4.26 -9.355903723e-01 -9.355903723e-01 4.28 -9.111847731e-01 -9.111847731e-01 4.30 -8.872510562e-01 -8.872510562e-01 4.32 -8.638004509e-01 -8.638004509e-01 4.34 -8.408440314e-01 -8.408440314e-01 4.36 -8.183917133e-01 -8.183917133e-01 4.38 -7.964513496e-01 -7.964513496e-01 4.40 -7.750280046e-01 -7.750280046e-01 4.42 -7.541234630e-01 -7.541234630e-01 4.44 -7.337360004e-01 -7.337360004e-01 4.46 -7.138604061e-01 -7.138604061e-01 4.48 -6.944882216e-01 -6.944882216e-01 4.50 -6.756081391e-01 -6.756081391e-01 4.52 -6.572064958e-01 -6.572064958e-01 4.54 -6.392678064e-01 -6.392678064e-01 4.56 -6.217752851e-01 -6.217752851e-01 4.58 -6.047113253e-01 -6.047113253e-01 4.60 -5.880579208e-01 -5.880579208e-01 4.62 -5.717970231e-01 -5.717970231e-01 4.64 -5.559108420e-01 -5.559108420e-01 4.66 -5.403820986e-01 -5.403820986e-01 4.68 -5.251942437e-01 -5.251942437e-01 4.70 -5.103316550e-01 -5.103316550e-01 4.72 -4.957798203e-01 -4.957798203e-01 4.74 -4.815255156e-01 -4.815255156e-01 4.76 -4.675569778e-01 -4.675569778e-01 4.78 -4.538640719e-01 -4.538640719e-01 4.80 -4.404349837e-01 -4.404349837e-01 4.82 -4.272707901e-01 -4.272707901e-01 4.84 -4.143629141e-01 -4.143629141e-01 4.86 -4.017090112e-01 -4.017090112e-01 4.88 -3.893087752e-01 -3.893087752e-01 4.90 -3.771638380e-01 -3.771638380e-01 4.92 -3.652775759e-01 -3.652775759e-01 4.94 -3.536548171e-01 -3.536548171e-01 4.96 -3.423014541e-01 -3.423014541e-01 4.98 -3.312239745e-01 -3.312239745e-01 5.00 -3.204289363e-01 -3.204289363e-01 5.02 -3.099224219e-01 -3.099224219e-01 5.04 -2.997095100e-01 -2.997095100e-01 5.06 -2.897938083e-01 -2.897938083e-01 5.08 -2.801770821e-01 -2.801770821e-01 5.10 -2.708590065e-01 -2.708590065e-01 5.12 -2.618370568e-01 -2.618370568e-01 5.14 -2.531065377e-01 -2.531065377e-01 5.16 -2.446607400e-01 -2.446607400e-01 5.18 -2.364912032e-01 -2.364912032e-01 5.20 -2.285880588e-01 -2.285880588e-01 5.22 -2.209404240e-01 -2.209404240e-01 5.24 -2.135368208e-01 -2.135368208e-01 5.26 -2.063655952e-01 -2.063655952e-01 5.28 -1.994153187e-01 -1.994153187e-01 5.30 -1.926751545e-01 -1.926751545e-01 5.32 -1.861351772e-01 -1.861351772e-01 5.34 -1.797866344e-01 -1.797866344e-01 5.36 -1.736221400e-01 -1.736221400e-01 5.38 -1.676357906e-01 -1.676357906e-01 5.40 -1.618231970e-01 -1.618231970e-01 5.42 -1.561814260e-01 -1.561814260e-01 5.44 -1.507088517e-01 -1.507088517e-01 5.46 -1.454049230e-01 -1.454049230e-01 5.48 -1.402698602e-01 -1.402698602e-01 5.50 -1.353043025e-01 -1.353043025e-01 5.52 -1.305089351e-01 -1.305089351e-01 5.54 -1.258841252e-01 -1.258841252e-01 5.56 -1.214295996e-01 -1.214295996e-01 5.58 -1.171441881e-01 -1.171441881e-01 5.60 -1.130256507e-01 -1.130256507e-01 5.62 -1.090705954e-01 -1.090705954e-01 5.64 -1.052744844e-01 -1.052744844e-01 5.66 -1.016317141e-01 -1.016317141e-01 5.68 -9.813575281e-02 -9.813575281e-02 5.70 -9.477931580e-02 -9.477931580e-02 5.72 -9.155455548e-02 -9.155455548e-02 5.74 -8.845325104e-02 -8.845325104e-02 5.76 -8.546696655e-02 -8.546696655e-02 5.78 -8.258723139e-02 -8.258723139e-02 5.80 -7.980566681e-02 -7.980566681e-02 5.82 -7.711407108e-02 -7.711407108e-02 5.84 -7.450449146e-02 -7.450449146e-02 5.86 -7.196924655e-02 -7.196924655e-02 5.88 -6.950099327e-02 -6.950099327e-02 5.90 -6.709278116e-02 -6.709278116e-02 5.92 -6.473802154e-02 -6.473802154e-02 5.94 -6.243050030e-02 -6.243050030e-02 5.96 -6.016439214e-02 -6.016439214e-02 5.98 -5.793427948e-02 -5.793427948e-02 6.00 -5.573517887e-02 -5.573517887e-02