# 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 = AuMg2Pt # 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 3.935233018e+02 3.935233018e+02 1.30 3.653697063e+02 3.653697063e+02 1.32 3.392358761e+02 3.392358761e+02 1.34 3.149675705e+02 3.149675705e+02 1.36 2.924260971e+02 2.924260971e+02 1.38 2.714832353e+02 2.714832353e+02 1.40 2.520179594e+02 2.520179594e+02 1.42 2.339160461e+02 2.339160461e+02 1.44 2.170710250e+02 2.170710250e+02 1.46 2.013852665e+02 2.013852665e+02 1.48 1.867707486e+02 1.867707486e+02 1.50 1.731488696e+02 1.731488696e+02 1.52 1.604489714e+02 1.604489714e+02 1.54 1.486061450e+02 1.486061450e+02 1.56 1.375594182e+02 1.375594182e+02 1.58 1.272507881e+02 1.272507881e+02 1.60 1.176249645e+02 1.176249645e+02 1.62 1.086295569e+02 1.086295569e+02 1.64 1.002156844e+02 1.002156844e+02 1.66 9.233985712e+01 9.233985712e+01 1.68 8.498051413e+01 8.498051413e+01 1.70 7.816021490e+01 7.816021490e+01 1.72 7.185185469e+01 7.185185469e+01 1.74 6.601975001e+01 6.601975001e+01 1.76 6.063040022e+01 6.063040022e+01 1.78 5.565147912e+01 5.565147912e+01 1.80 5.105187396e+01 5.105187396e+01 1.82 4.680223797e+01 4.680223797e+01 1.84 4.287553487e+01 4.287553487e+01 1.86 3.924724261e+01 3.924724261e+01 1.88 3.589515443e+01 3.589515443e+01 1.90 3.279890454e+01 3.279890454e+01 1.92 2.993945157e+01 2.993945157e+01 1.94 2.729873368e+01 2.729873368e+01 1.96 2.485962146e+01 2.485962146e+01 1.98 2.260608263e+01 2.260608263e+01 2.00 2.052339074e+01 2.052339074e+01 2.02 1.859822831e+01 1.859822831e+01 2.04 1.681864162e+01 1.681864162e+01 2.06 1.517388488e+01 1.517388488e+01 2.08 1.365421689e+01 1.365421689e+01 2.10 1.225070691e+01 1.225070691e+01 2.12 1.095507528e+01 1.095507528e+01 2.14 9.759588662e+00 9.759588662e+00 2.16 8.657005616e+00 8.657005616e+00 2.18 7.640558178e+00 7.640558178e+00 2.20 6.703952008e+00 6.703952008e+00 2.22 5.841363782e+00 5.841363782e+00 2.24 5.047432422e+00 5.047432422e+00 2.26 4.317242687e+00 4.317242687e+00 2.28 3.646300220e+00 3.646300220e+00 2.30 3.030503642e+00 3.030503642e+00 2.32 2.466104441e+00 2.466104441e+00 2.34 1.949664586e+00 1.949664586e+00 2.36 1.478009748e+00 1.478009748e+00 2.38 1.047515413e+00 1.047515413e+00 2.40 6.544674428e-01 6.544674428e-01 2.42 2.966447056e-01 2.966447056e-01 2.44 -2.812955874e-02 -2.812955874e-02 2.46 -3.220373058e-01 -3.220373058e-01 2.48 -5.872789048e-01 -5.872789048e-01 2.50 -8.260749648e-01 -8.260749648e-01 2.52 -1.040650993e+00 -1.040650993e+00 2.54 -1.233201182e+00 -1.233201182e+00 2.56 -1.405833643e+00 -1.405833643e+00 2.58 -1.560507838e+00 -1.560507838e+00 2.60 -1.698980379e+00 -1.698980379e+00 2.62 -1.822773109e+00 -1.822773109e+00 2.64 -1.933170870e+00 -1.933170870e+00 2.66 -2.031299101e+00 -2.031299101e+00 2.68 -2.118035767e+00 -2.118035767e+00 2.70 -2.194061283e+00 -2.194061283e+00 2.72 -2.259969633e+00 -2.259969633e+00 2.74 -2.316295811e+00 -2.316295811e+00 2.76 -2.363535460e+00 -2.363535460e+00 2.78 -2.402157401e+00 -2.402157401e+00 2.80 -2.432612746e+00 -2.432612746e+00 2.82 -2.455339245e+00 -2.455339245e+00 2.84 -2.470764820e+00 -2.470764820e+00 2.86 -2.479316953e+00 -2.479316953e+00 2.88 -2.481436901e+00 -2.481436901e+00 2.90 -2.477590909e+00 -2.477590909e+00 2.92 -2.468280076e+00 -2.468280076e+00 2.94 -2.454045835e+00 -2.454045835e+00 2.96 -2.435467731e+00 -2.435467731e+00 2.98 -2.413151444e+00 -2.413151444e+00 3.00 -2.387707545e+00 -2.387707545e+00 3.02 -2.359724492e+00 -2.359724492e+00 3.04 -2.329741227e+00 -2.329741227e+00 3.06 -2.298226704e+00 -2.298226704e+00 3.08 -2.265566017e+00 -2.265566017e+00 3.10 -2.232060146e+00 -2.232060146e+00 3.12 -2.197973404e+00 -2.197973404e+00 3.14 -2.163571649e+00 -2.163571649e+00 3.16 -2.129040203e+00 -2.129040203e+00 3.18 -2.094498952e+00 -2.094498952e+00 3.20 -2.060023769e+00 -2.060023769e+00 3.22 -2.025663559e+00 -2.025663559e+00 3.24 -1.991452642e+00 -1.991452642e+00 3.26 -1.957419103e+00 -1.957419103e+00 3.28 -1.923589777e+00 -1.923589777e+00 3.30 -1.889992556e+00 -1.889992556e+00 3.32 -1.856656706e+00 -1.856656706e+00 3.34 -1.823611945e+00 -1.823611945e+00 3.36 -1.790902952e+00 -1.790902952e+00 3.38 -1.758569466e+00 -1.758569466e+00 3.40 -1.726610003e+00 -1.726610003e+00 3.42 -1.695024689e+00 -1.695024689e+00 3.44 -1.663815068e+00 -1.663815068e+00 3.46 -1.632984337e+00 -1.632984337e+00 3.48 -1.602537194e+00 -1.602537194e+00 3.50 -1.572479646e+00 -1.572479646e+00 3.52 -1.542818641e+00 -1.542818641e+00 3.54 -1.513560985e+00 -1.513560985e+00 3.56 -1.484694868e+00 -1.484694868e+00 3.58 -1.456184352e+00 -1.456184352e+00 3.60 -1.427998656e+00 -1.427998656e+00 3.62 -1.400112749e+00 -1.400112749e+00 3.64 -1.372506055e+00 -1.372506055e+00 3.66 -1.345161381e+00 -1.345161381e+00 3.68 -1.318064080e+00 -1.318064080e+00 3.70 -1.291201427e+00 -1.291201427e+00 3.72 -1.264562186e+00 -1.264562186e+00 3.74 -1.238136352e+00 -1.238136352e+00 3.76 -1.211915033e+00 -1.211915033e+00 3.78 -1.185890430e+00 -1.185890430e+00 3.80 -1.160055861e+00 -1.160055861e+00 3.82 -1.134405781e+00 -1.134405781e+00 3.84 -1.108935730e+00 -1.108935730e+00 3.86 -1.083642195e+00 -1.083642195e+00 3.88 -1.058522348e+00 -1.058522348e+00 3.90 -1.033573728e+00 -1.033573728e+00 3.92 -1.008793773e+00 -1.008793773e+00 3.94 -9.841801837e-01 -9.841801837e-01 3.96 -9.597299679e-01 -9.597299679e-01 3.98 -9.354403507e-01 -9.354403507e-01 4.00 -9.113091719e-01 -9.113091719e-01 4.02 -8.873357663e-01 -8.873357663e-01 4.04 -8.635220911e-01 -8.635220911e-01 4.06 -8.398740028e-01 -8.398740028e-01 4.08 -8.164025446e-01 -8.164025446e-01 4.10 -7.931246805e-01 -7.931246805e-01 4.12 -7.700657821e-01 -7.700657821e-01 4.14 -7.472572386e-01 -7.472572386e-01 4.16 -7.247379617e-01 -7.247379617e-01 4.18 -7.025527316e-01 -7.025527316e-01 4.20 -6.807502945e-01 -6.807502945e-01 4.22 -6.593808245e-01 -6.593808245e-01 4.24 -6.384929853e-01 -6.384929853e-01 4.26 -6.181309058e-01 -6.181309058e-01 4.28 -5.983314107e-01 -5.983314107e-01 4.30 -5.791218092e-01 -5.791218092e-01 4.32 -5.605184499e-01 -5.605184499e-01 4.34 -5.425261285e-01 -5.425261285e-01 4.36 -5.251383041e-01 -5.251383041e-01 4.38 -5.083379890e-01 -5.083379890e-01 4.40 -4.920991123e-01 -4.920991123e-01 4.42 -4.763881508e-01 -4.763881508e-01 4.44 -4.611658366e-01 -4.611658366e-01 4.46 -4.463887992e-01 -4.463887992e-01 4.48 -4.320110495e-01 -4.320110495e-01 4.50 -4.179852617e-01 -4.179852617e-01 4.52 -4.042638542e-01 -4.042638542e-01 4.54 -3.907998974e-01 -3.907998974e-01 4.56 -3.775478956e-01 -3.775478956e-01 4.58 -3.644644996e-01 -3.644644996e-01 4.60 -3.515092052e-01 -3.515092052e-01 4.62 -3.386450840e-01 -3.386450840e-01 4.64 -3.258395798e-01 -3.258395798e-01 4.66 -3.130653843e-01 -3.130653843e-01 4.68 -3.003013819e-01 -3.003013819e-01 4.70 -2.875336272e-01 -2.875336272e-01 4.72 -2.747562900e-01 -2.747562900e-01 4.74 -2.619724801e-01 -2.619724801e-01 4.76 -2.491948430e-01 -2.491948430e-01 4.78 -2.364458139e-01 -2.364458139e-01 4.80 -2.237570583e-01 -2.237570583e-01 4.82 -2.111702732e-01 -2.111702732e-01 4.84 -1.987335272e-01 -1.987335272e-01 4.86 -1.865011271e-01 -1.865011271e-01 4.88 -1.745309413e-01 -1.745309413e-01 4.90 -1.628818819e-01 -1.628818819e-01 4.92 -1.516112946e-01 -1.516112946e-01 4.94 -1.407724631e-01 -1.407724631e-01 4.96 -1.304124157e-01 -1.304124157e-01 4.98 -1.205701863e-01 -1.205701863e-01 5.00 -1.112756208e-01 -1.112756208e-01 5.02 -1.025487620e-01 -1.025487620e-01 5.04 -9.439978680e-02 -9.439978680e-02 5.06 -8.682942952e-02 -8.682942952e-02 5.08 -7.982979275e-02 -7.982979275e-02 5.10 -7.338543869e-02 -7.338543869e-02 5.12 -6.747465242e-02 -6.747465242e-02 5.14 -6.207077885e-02 -6.207077885e-02 5.16 -5.714355008e-02 -5.714355008e-02 5.18 -5.266034438e-02 -5.266034438e-02 5.20 -4.858731061e-02 -4.858731061e-02 5.22 -4.489033166e-02 -4.489033166e-02 5.24 -4.153586599e-02 -4.153586599e-02 5.26 -3.849159583e-02 -3.849159583e-02 5.28 -3.572691665e-02 -3.572691665e-02 5.30 -3.321278829e-02 -3.321278829e-02 5.32 -3.092203231e-02 -3.092203231e-02 5.34 -2.883161075e-02 -2.883161075e-02 5.36 -2.692061773e-02 -2.692061773e-02 5.38 -2.517024690e-02 -2.517024690e-02 5.40 -2.356378389e-02 -2.356378389e-02 5.42 -2.208651853e-02 -2.208651853e-02 5.44 -2.072560118e-02 -2.072560118e-02 5.46 -1.946986152e-02 -1.946986152e-02 5.48 -1.830960562e-02 -1.830960562e-02 5.50 -1.723640485e-02 -1.723640485e-02 5.52 -1.624288843e-02 -1.624288843e-02 5.54 -1.532254953e-02 -1.532254953e-02 5.56 -1.446957279e-02 -1.446957279e-02 5.58 -1.367868853e-02 -1.367868853e-02 5.60 -1.294505619e-02 -1.294505619e-02 5.62 -1.226417688e-02 -1.226417688e-02 5.64 -1.163183250e-02 -1.163183250e-02 5.66 -1.104404719e-02 -1.104404719e-02 5.68 -1.049706610e-02 -1.049706610e-02 5.70 -9.987346163e-03 -9.987346163e-03 5.72 -9.511554016e-03 -9.511554016e-03 5.74 -9.066567669e-03 -9.066567669e-03 5.76 -8.649511794e-03 -8.649511794e-03 5.78 -8.257702391e-03 -8.257702391e-03 5.80 -7.888641755e-03 -7.888641755e-03 5.82 -7.540037796e-03 -7.540037796e-03 5.84 -7.209795948e-03 -7.209795948e-03 5.86 -6.896009087e-03 -6.896009087e-03 5.88 -6.596946126e-03 -6.596946126e-03 5.90 -6.311039989e-03 -6.311039989e-03 5.92 -6.036875621e-03 -6.036875621e-03 5.94 -5.773178594e-03 -5.773178594e-03 5.96 -5.518804762e-03 -5.518804762e-03 5.98 -5.272731301e-03 -5.272731301e-03 6.00 -5.034049345e-03 -5.034049345e-03