# 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 = CuMg2Mo # 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 3.024900681e+02 3.024900681e+02 1.30 2.799513896e+02 2.799513896e+02 1.32 2.591382595e+02 2.591382595e+02 1.34 2.399051976e+02 2.399051976e+02 1.36 2.221176091e+02 2.221176091e+02 1.38 2.056528415e+02 2.056528415e+02 1.40 1.904007125e+02 1.904007125e+02 1.42 1.762631071e+02 1.762631071e+02 1.44 1.631526442e+02 1.631526442e+02 1.46 1.509908458e+02 1.509908458e+02 1.48 1.397064348e+02 1.397064348e+02 1.50 1.292341885e+02 1.292341885e+02 1.52 1.195143734e+02 1.195143734e+02 1.54 1.104924038e+02 1.104924038e+02 1.56 1.021184141e+02 1.021184141e+02 1.58 9.434673230e+01 9.434673230e+01 1.60 8.713571648e+01 8.713571648e+01 1.62 8.044906961e+01 8.044906961e+01 1.64 7.425121763e+01 7.425121763e+01 1.66 6.850832715e+01 6.850832715e+01 1.68 6.318817103e+01 6.318817103e+01 1.70 5.826047479e+01 5.826047479e+01 1.72 5.369638433e+01 5.369638433e+01 1.74 4.946835420e+01 4.946835420e+01 1.76 4.555024894e+01 4.555024894e+01 1.78 4.191754389e+01 4.191754389e+01 1.80 3.854754548e+01 3.854754548e+01 1.82 3.541956168e+01 3.541956168e+01 1.84 3.251495935e+01 3.251495935e+01 1.86 2.981711076e+01 2.981711076e+01 1.88 2.731122504e+01 2.731122504e+01 1.90 2.498409861e+01 2.498409861e+01 1.92 2.282382456e+01 2.282382456e+01 1.94 2.081951684e+01 2.081951684e+01 1.96 1.896108806e+01 1.896108806e+01 1.98 1.723909549e+01 1.723909549e+01 2.00 1.564463307e+01 1.564463307e+01 2.02 1.416924375e+01 1.416924375e+01 2.04 1.280484467e+01 1.280484467e+01 2.06 1.154367055e+01 1.154367055e+01 2.08 1.037824552e+01 1.037824552e+01 2.10 9.301393825e+00 9.301393825e+00 2.12 8.306285881e+00 8.306285881e+00 2.14 7.386505221e+00 7.386505221e+00 2.16 6.536113864e+00 6.536113864e+00 2.18 5.749689413e+00 5.749689413e+00 2.20 5.022325216e+00 5.022325216e+00 2.22 4.349593175e+00 4.349593175e+00 2.24 3.727487710e+00 3.727487710e+00 2.26 3.152367655e+00 3.152367655e+00 2.28 2.621051964e+00 2.621051964e+00 2.30 2.130362509e+00 2.130362509e+00 2.32 1.677240545e+00 1.677240545e+00 2.34 1.258894776e+00 1.258894776e+00 2.36 8.727736489e-01 8.727736489e-01 2.38 5.165517309e-01 5.165517309e-01 2.40 1.881150411e-01 1.881150411e-01 2.42 -1.144121994e-01 -1.144121994e-01 2.44 -3.925655405e-01 -3.925655405e-01 2.46 -6.477611874e-01 -6.477611874e-01 2.48 -8.813595738e-01 -8.813595738e-01 2.50 -1.094665005e+00 -1.094665005e+00 2.52 -1.288922949e+00 -1.288922949e+00 2.54 -1.465316553e+00 -1.465316553e+00 2.56 -1.624964236e+00 -1.624964236e+00 2.58 -1.768919807e+00 -1.768919807e+00 2.60 -1.898239056e+00 -1.898239056e+00 2.62 -2.014056392e+00 -2.014056392e+00 2.64 -2.117025088e+00 -2.117025088e+00 2.66 -2.207744355e+00 -2.207744355e+00 2.68 -2.286818067e+00 -2.286818067e+00 2.70 -2.354851524e+00 -2.354851524e+00 2.72 -2.412446478e+00 -2.412446478e+00 2.74 -2.460194727e+00 -2.460194727e+00 2.76 -2.498696881e+00 -2.498696881e+00 2.78 -2.528551756e+00 -2.528551756e+00 2.80 -2.550320376e+00 -2.550320376e+00 2.82 -2.564524964e+00 -2.564524964e+00 2.84 -2.571658396e+00 -2.571658396e+00 2.86 -2.572196452e+00 -2.572196452e+00 2.88 -2.566611946e+00 -2.566611946e+00 2.90 -2.555387408e+00 -2.555387408e+00 2.92 -2.539023794e+00 -2.539023794e+00 2.94 -2.518043526e+00 -2.518043526e+00 2.96 -2.492987235e+00 -2.492987235e+00 2.98 -2.464404600e+00 -2.464404600e+00 3.00 -2.432840678e+00 -2.432840678e+00 3.02 -2.398819758e+00 -2.398819758e+00 3.04 -2.362828909e+00 -2.362828909e+00 3.06 -2.325305059e+00 -2.325305059e+00 3.08 -2.286623223e+00 -2.286623223e+00 3.10 -2.247092627e+00 -2.247092627e+00 3.12 -2.206955771e+00 -2.206955771e+00 3.14 -2.166394716e+00 -2.166394716e+00 3.16 -2.125535379e+00 -2.125535379e+00 3.18 -2.084459511e+00 -2.084459511e+00 3.20 -2.043214603e+00 -2.043214603e+00 3.22 -2.001865181e+00 -2.001865181e+00 3.24 -1.960412318e+00 -1.960412318e+00 3.26 -1.918796505e+00 -1.918796505e+00 3.28 -1.876969284e+00 -1.876969284e+00 3.30 -1.834898340e+00 -1.834898340e+00 3.32 -1.792571125e+00 -1.792571125e+00 3.34 -1.749973960e+00 -1.749973960e+00 3.36 -1.706964424e+00 -1.706964424e+00 3.38 -1.663384284e+00 -1.663384284e+00 3.40 -1.619136790e+00 -1.619136790e+00 3.42 -1.574189720e+00 -1.574189720e+00 3.44 -1.528575200e+00 -1.528575200e+00 3.46 -1.482386932e+00 -1.482386932e+00 3.48 -1.435772982e+00 -1.435772982e+00 3.50 -1.388924849e+00 -1.388924849e+00 3.52 -1.342063621e+00 -1.342063621e+00 3.54 -1.295424653e+00 -1.295424653e+00 3.56 -1.249242406e+00 -1.249242406e+00 3.58 -1.203736996e+00 -1.203736996e+00 3.60 -1.159103596e+00 -1.159103596e+00 3.62 -1.115505369e+00 -1.115505369e+00 3.64 -1.073070042e+00 -1.073070042e+00 3.66 -1.031889840e+00 -1.031889840e+00 3.68 -9.920241281e-01 -9.920241281e-01 3.70 -9.535040331e-01 -9.535040331e-01 3.72 -9.163382058e-01 -9.163382058e-01 3.74 -8.805189823e-01 -8.805189823e-01 3.76 -8.460282752e-01 -8.460282752e-01 3.78 -8.128426556e-01 -8.128426556e-01 3.80 -7.809372217e-01 -7.809372217e-01 3.82 -7.502880153e-01 -7.502880153e-01 3.84 -7.208729261e-01 -7.208729261e-01 3.86 -6.926712260e-01 -6.926712260e-01 3.88 -6.656620646e-01 -6.656620646e-01 3.90 -6.398223993e-01 -6.398223993e-01 3.92 -6.151246658e-01 -6.151246658e-01 3.94 -5.915360385e-01 -5.915360385e-01 3.96 -5.690160470e-01 -5.690160470e-01 3.98 -5.475175941e-01 -5.475175941e-01 4.00 -5.269874635e-01 -5.269874635e-01 4.02 -5.073677005e-01 -5.073677005e-01 4.04 -4.885973094e-01 -4.885973094e-01 4.06 -4.706140034e-01 -4.706140034e-01 4.08 -4.533558040e-01 -4.533558040e-01 4.10 -4.367617318e-01 -4.367617318e-01 4.12 -4.207755245e-01 -4.207755245e-01 4.14 -4.053421082e-01 -4.053421082e-01 4.16 -3.904111157e-01 -3.904111157e-01 4.18 -3.759364250e-01 -3.759364250e-01 4.20 -3.618764152e-01 -3.618764152e-01 4.22 -3.481941944e-01 -3.481941944e-01 4.24 -3.348578426e-01 -3.348578426e-01 4.26 -3.218406898e-01 -3.218406898e-01 4.28 -3.091216237e-01 -3.091216237e-01 4.30 -2.966853987e-01 -2.966853987e-01 4.32 -2.845228915e-01 -2.845228915e-01 4.34 -2.726312308e-01 -2.726312308e-01 4.36 -2.610137202e-01 -2.610137202e-01 4.38 -2.496794761e-01 -2.496794761e-01 4.40 -2.386427236e-01 -2.386427236e-01 4.42 -2.279217316e-01 -2.279217316e-01 4.44 -2.175374194e-01 -2.175374194e-01 4.46 -2.075117222e-01 -2.075117222e-01 4.48 -1.978658510e-01 -1.978658510e-01 4.50 -1.886186128e-01 -1.886186128e-01 4.52 -1.797849553e-01 -1.797849553e-01 4.54 -1.713748746e-01 -1.713748746e-01 4.56 -1.633927711e-01 -1.633927711e-01 4.58 -1.558372767e-01 -1.558372767e-01 4.60 -1.487015145e-01 -1.487015145e-01 4.62 -1.419737059e-01 -1.419737059e-01 4.64 -1.356380150e-01 -1.356380150e-01 4.66 -1.296755114e-01 -1.296755114e-01 4.68 -1.240651527e-01 -1.240651527e-01 4.70 -1.187847008e-01 -1.187847008e-01 4.72 -1.138115054e-01 -1.138115054e-01 4.74 -1.091231645e-01 -1.091231645e-01 4.76 -1.046980207e-01 -1.046980207e-01 4.78 -1.005155134e-01 -1.005155134e-01 4.80 -9.655599448e-02 -9.655599448e-02 4.82 -9.280255226e-02 -9.280255226e-02 4.84 -8.923837267e-02 -8.923837267e-02 4.86 -8.584859375e-02 -8.584859375e-02 4.88 -8.261974571e-02 -8.261974571e-02 4.90 -7.953954703e-02 -7.953954703e-02 4.92 -7.659674271e-02 -7.659674271e-02 4.94 -7.378156461e-02 -7.378156461e-02 4.96 -7.108520535e-02 -7.108520535e-02 4.98 -6.849969128e-02 -6.849969128e-02 5.00 -6.601779115e-02 -6.601779115e-02 5.02 -6.363293093e-02 -6.363293093e-02 5.04 -6.133911629e-02 -6.133911629e-02 5.06 -5.913086346e-02 -5.913086346e-02 5.08 -5.700313874e-02 -5.700313874e-02 5.10 -5.495130667e-02 -5.495130667e-02 5.12 -5.297108654e-02 -5.297108654e-02 5.14 -5.105851748e-02 -5.105851748e-02 5.16 -4.920993126e-02 -4.920993126e-02 5.18 -4.742193220e-02 -4.742193220e-02 5.20 -4.569138440e-02 -4.569138440e-02 5.22 -4.401540547e-02 -4.401540547e-02 5.24 -4.239136612e-02 -4.239136612e-02 5.26 -4.081689452e-02 -4.081689452e-02 5.28 -3.928988421e-02 -3.928988421e-02 5.30 -3.780850380e-02 -3.780850380e-02 5.32 -3.637120618e-02 -3.637120618e-02 5.34 -3.497673479e-02 -3.497673479e-02 5.36 -3.362412415e-02 -3.362412415e-02 5.38 -3.231269082e-02 -3.231269082e-02 5.40 -3.104201379e-02 -3.104201379e-02 5.42 -2.981190182e-02 -2.981190182e-02 5.44 -2.862234715e-02 -2.862234715e-02 5.46 -2.747346682e-02 -2.747346682e-02 5.48 -2.636543468e-02 -2.636543468e-02 5.50 -2.529840854e-02 -2.529840854e-02 5.52 -2.427245827e-02 -2.427245827e-02 5.54 -2.328750076e-02 -2.328750076e-02 5.56 -2.234324735e-02 -2.234324735e-02 5.58 -2.143916777e-02 -2.143916777e-02 5.60 -2.057447270e-02 -2.057447270e-02 5.62 -1.974811508e-02 -1.974811508e-02 5.64 -1.895880792e-02 -1.895880792e-02 5.66 -1.820505522e-02 -1.820505522e-02 5.68 -1.748519167e-02 -1.748519167e-02 5.70 -1.679742662e-02 -1.679742662e-02 5.72 -1.613988836e-02 -1.613988836e-02 5.74 -1.551066513e-02 -1.551066513e-02 5.76 -1.490781187e-02 -1.490781187e-02 5.78 -1.432942883e-02 -1.432942883e-02 5.80 -1.377368724e-02 -1.377368724e-02 5.82 -1.323882505e-02 -1.323882505e-02 5.84 -1.272315900e-02 -1.272315900e-02 5.86 -1.222509206e-02 -1.222509206e-02 5.88 -1.174311762e-02 -1.174311762e-02 5.90 -1.127582130e-02 -1.127582130e-02 5.92 -1.082188146e-02 -1.082188146e-02 5.94 -1.038006932e-02 -1.038006932e-02 5.96 -9.949249320e-03 -9.949249320e-03 5.98 -9.528380375e-03 -9.528380375e-03 6.00 -9.116518385e-03 -9.116518385e-03