# 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 = CuMg2Zr # 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 3.311930392e+02 3.311930392e+02 1.30 3.071765940e+02 3.071765940e+02 1.32 2.849503365e+02 2.849503365e+02 1.34 2.643703676e+02 2.643703676e+02 1.36 2.453050857e+02 2.453050857e+02 1.38 2.276350167e+02 2.276350167e+02 1.40 2.112518585e+02 2.112518585e+02 1.42 1.960565864e+02 1.960565864e+02 1.44 1.819576400e+02 1.819576400e+02 1.46 1.688701605e+02 1.688701605e+02 1.48 1.567160407e+02 1.567160407e+02 1.50 1.454238112e+02 1.454238112e+02 1.52 1.349281239e+02 1.349281239e+02 1.54 1.251691072e+02 1.251691072e+02 1.56 1.160919527e+02 1.160919527e+02 1.58 1.076467787e+02 1.076467787e+02 1.60 9.978841728e+01 9.978841728e+01 1.62 9.247588750e+01 9.247588750e+01 1.64 8.567165194e+01 8.567165194e+01 1.66 7.934091439e+01 7.934091439e+01 1.68 7.345112482e+01 7.345112482e+01 1.70 6.797219288e+01 6.797219288e+01 1.72 6.287596486e+01 6.287596486e+01 1.74 5.813570433e+01 5.813570433e+01 1.76 5.372633486e+01 5.372633486e+01 1.78 4.962406026e+01 4.962406026e+01 1.80 4.580683912e+01 4.580683912e+01 1.82 4.225428157e+01 4.225428157e+01 1.84 3.894734736e+01 3.894734736e+01 1.86 3.586833323e+01 3.586833323e+01 1.88 3.300091601e+01 3.300091601e+01 1.90 3.033021245e+01 3.033021245e+01 1.92 2.784272679e+01 2.784272679e+01 1.94 2.552619917e+01 2.552619917e+01 1.96 2.336937485e+01 2.336937485e+01 1.98 2.136184690e+01 2.136184690e+01 2.00 1.949395301e+01 1.949395301e+01 2.02 1.775668895e+01 1.775668895e+01 2.04 1.614162315e+01 1.614162315e+01 2.06 1.464081017e+01 1.464081017e+01 2.08 1.324671035e+01 1.324671035e+01 2.10 1.195214863e+01 1.195214863e+01 2.12 1.075031909e+01 1.075031909e+01 2.14 9.634816268e+00 9.634816268e+00 2.16 8.599685616e+00 8.599685616e+00 2.18 7.639432454e+00 7.639432454e+00 2.20 6.748993683e+00 6.748993683e+00 2.22 5.923662394e+00 5.923662394e+00 2.24 5.159022321e+00 5.159022321e+00 2.26 4.450910100e+00 4.450910100e+00 2.28 3.795391824e+00 3.795391824e+00 2.30 3.188790805e+00 3.188790805e+00 2.32 2.627661253e+00 2.627661253e+00 2.34 2.108822991e+00 2.108822991e+00 2.36 1.629337064e+00 1.629337064e+00 2.38 1.186501477e+00 1.186501477e+00 2.40 7.778167058e-01 7.778167058e-01 2.42 4.009150658e-01 4.009150658e-01 2.44 5.370505823e-02 5.370505823e-02 2.46 -2.657918828e-01 -2.657918828e-01 2.48 -5.594753233e-01 -5.594753233e-01 2.50 -8.291613539e-01 -8.291613539e-01 2.52 -1.076568627e+00 -1.076568627e+00 2.54 -1.303302159e+00 -1.303302159e+00 2.56 -1.510805791e+00 -1.510805791e+00 2.58 -1.700256124e+00 -1.700256124e+00 2.60 -1.872713564e+00 -1.872713564e+00 2.62 -2.029175892e+00 -2.029175892e+00 2.64 -2.170603912e+00 -2.170603912e+00 2.66 -2.297916633e+00 -2.297916633e+00 2.68 -2.412014453e+00 -2.412014453e+00 2.70 -2.513778387e+00 -2.513778387e+00 2.72 -2.604066288e+00 -2.604066288e+00 2.74 -2.683703375e+00 -2.683703375e+00 2.76 -2.753479749e+00 -2.753479749e+00 2.78 -2.814311763e+00 -2.814311763e+00 2.80 -2.866764513e+00 -2.866764513e+00 2.82 -2.911234059e+00 -2.911234059e+00 2.84 -2.948101213e+00 -2.948101213e+00 2.86 -2.977731683e+00 -2.977731683e+00 2.88 -3.000482621e+00 -3.000482621e+00 2.90 -3.016709770e+00 -3.016709770e+00 2.92 -3.026773088e+00 -3.026773088e+00 2.94 -3.031042108e+00 -3.031042108e+00 2.96 -3.029910638e+00 -3.029910638e+00 2.98 -3.023780137e+00 -3.023780137e+00 3.00 -3.013047535e+00 -3.013047535e+00 3.02 -2.998100948e+00 -2.998100948e+00 3.04 -2.979313119e+00 -2.979313119e+00 3.06 -2.957048384e+00 -2.957048384e+00 3.08 -2.931644070e+00 -2.931644070e+00 3.10 -2.903421501e+00 -2.903421501e+00 3.12 -2.872680738e+00 -2.872680738e+00 3.14 -2.839711344e+00 -2.839711344e+00 3.16 -2.804777667e+00 -2.804777667e+00 3.18 -2.768131173e+00 -2.768131173e+00 3.20 -2.730008281e+00 -2.730008281e+00 3.22 -2.690631515e+00 -2.690631515e+00 3.24 -2.650211052e+00 -2.650211052e+00 3.26 -2.608946489e+00 -2.608946489e+00 3.28 -2.567028135e+00 -2.567028135e+00 3.30 -2.524636927e+00 -2.524636927e+00 3.32 -2.481942413e+00 -2.481942413e+00 3.34 -2.439099047e+00 -2.439099047e+00 3.36 -2.396241901e+00 -2.396241901e+00 3.38 -2.353483263e+00 -2.353483263e+00 3.40 -2.310910134e+00 -2.310910134e+00 3.42 -2.268590450e+00 -2.268590450e+00 3.44 -2.226568269e+00 -2.226568269e+00 3.46 -2.184873779e+00 -2.184873779e+00 3.48 -2.143526063e+00 -2.143526063e+00 3.50 -2.102556903e+00 -2.102556903e+00 3.52 -2.061979288e+00 -2.061979288e+00 3.54 -2.021773490e+00 -2.021773490e+00 3.56 -1.981922814e+00 -1.981922814e+00 3.58 -1.942413140e+00 -1.942413140e+00 3.60 -1.903232464e+00 -1.903232464e+00 3.62 -1.864370595e+00 -1.864370595e+00 3.64 -1.825819144e+00 -1.825819144e+00 3.66 -1.787571923e+00 -1.787571923e+00 3.68 -1.749625471e+00 -1.749625471e+00 3.70 -1.711967111e+00 -1.711967111e+00 3.72 -1.674565293e+00 -1.674565293e+00 3.74 -1.637400685e+00 -1.637400685e+00 3.76 -1.600470430e+00 -1.600470430e+00 3.78 -1.563788884e+00 -1.563788884e+00 3.80 -1.527387737e+00 -1.527387737e+00 3.82 -1.491315077e+00 -1.491315077e+00 3.84 -1.455633058e+00 -1.455633058e+00 3.86 -1.420414017e+00 -1.420414017e+00 3.88 -1.385735182e+00 -1.385735182e+00 3.90 -1.351672517e+00 -1.351672517e+00 3.92 -1.318293003e+00 -1.318293003e+00 3.94 -1.285655349e+00 -1.285655349e+00 3.96 -1.253796481e+00 -1.253796481e+00 3.98 -1.222736649e+00 -1.222736649e+00 4.00 -1.192477950e+00 -1.192477950e+00 4.02 -1.163006415e+00 -1.163006415e+00 4.04 -1.134295208e+00 -1.134295208e+00 4.06 -1.106308301e+00 -1.106308301e+00 4.08 -1.079004052e+00 -1.079004052e+00 4.10 -1.052334532e+00 -1.052334532e+00 4.12 -1.026263796e+00 -1.026263796e+00 4.14 -1.000744757e+00 -1.000744757e+00 4.16 -9.757378599e-01 -9.757378599e-01 4.18 -9.512071518e-01 -9.512071518e-01 4.20 -9.271206675e-01 -9.271206675e-01 4.22 -9.034506236e-01 -9.034506236e-01 4.24 -8.801735247e-01 -8.801735247e-01 4.26 -8.572702511e-01 -8.572702511e-01 4.28 -8.347261681e-01 -8.347261681e-01 4.30 -8.125312598e-01 -8.125312598e-01 4.32 -7.906802630e-01 -7.906802630e-01 4.34 -7.691727547e-01 -7.691727547e-01 4.36 -7.480131262e-01 -7.480131262e-01 4.38 -7.272103778e-01 -7.272103778e-01 4.40 -7.067776730e-01 -7.067776730e-01 4.42 -6.867316191e-01 -6.867316191e-01 4.44 -6.670912746e-01 -6.670912746e-01 4.46 -6.478769337e-01 -6.478769337e-01 4.48 -6.291087749e-01 -6.291087749e-01 4.50 -6.108054955e-01 -6.108054955e-01 4.52 -5.929830639e-01 -5.929830639e-01 4.54 -5.756537069e-01 -5.756537069e-01 4.56 -5.588252204e-01 -5.588252204e-01 4.58 -5.425006409e-01 -5.425006409e-01 4.60 -5.266782717e-01 -5.266782717e-01 4.62 -5.113520151e-01 -5.113520151e-01 4.64 -4.965119337e-01 -4.965119337e-01 4.66 -4.821449562e-01 -4.821449562e-01 4.68 -4.682356423e-01 -4.682356423e-01 4.70 -4.547669380e-01 -4.547669380e-01 4.72 -4.417208681e-01 -4.417208681e-01 4.74 -4.290791335e-01 -4.290791335e-01 4.76 -4.168235949e-01 -4.168235949e-01 4.78 -4.049366430e-01 -4.049366430e-01 4.80 -3.933979841e-01 -3.933979841e-01 4.82 -3.821992912e-01 -3.821992912e-01 4.84 -3.713215640e-01 -3.713215640e-01 4.86 -3.607510405e-01 -3.607510405e-01 4.88 -3.504749735e-01 -3.504749735e-01 4.90 -3.404815626e-01 -3.404815626e-01 4.92 -3.307598638e-01 -3.307598638e-01 4.94 -3.212996871e-01 -3.212996871e-01 4.96 -3.120914893e-01 -3.120914893e-01 4.98 -3.031262708e-01 -3.031262708e-01 5.00 -2.943954790e-01 -2.943954790e-01 5.02 -2.858909228e-01 -2.858909228e-01 5.04 -2.776046991e-01 -2.776046991e-01 5.06 -2.695291340e-01 -2.695291340e-01 5.08 -2.616567385e-01 -2.616567385e-01 5.10 -2.539801788e-01 -2.539801788e-01 5.12 -2.464922625e-01 -2.464922625e-01 5.14 -2.391859401e-01 -2.391859401e-01 5.16 -2.320543232e-01 -2.320543232e-01 5.18 -2.250907183e-01 -2.250907183e-01 5.20 -2.182886785e-01 -2.182886785e-01 5.22 -2.116420706e-01 -2.116420706e-01 5.24 -2.051451594e-01 -2.051451594e-01 5.26 -1.987927045e-01 -1.987927045e-01 5.28 -1.925800686e-01 -1.925800686e-01 5.30 -1.865033301e-01 -1.865033301e-01 5.32 -1.805593931e-01 -1.805593931e-01 5.34 -1.747460841e-01 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