# 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 = PbPtZr2 # 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 5.127683894e+02 5.127683894e+02 1.30 4.806209009e+02 4.806209009e+02 1.32 4.506258142e+02 4.506258142e+02 1.34 4.226184958e+02 4.226184958e+02 1.36 3.964493481e+02 3.964493481e+02 1.38 3.719813163e+02 3.719813163e+02 1.40 3.490877165e+02 3.490877165e+02 1.42 3.276528301e+02 3.276528301e+02 1.44 3.075727332e+02 3.075727332e+02 1.46 2.887532840e+02 2.887532840e+02 1.48 2.711070072e+02 2.711070072e+02 1.50 2.545521810e+02 2.545521810e+02 1.52 2.390136921e+02 2.390136921e+02 1.54 2.244230314e+02 2.244230314e+02 1.56 2.107170623e+02 2.107170623e+02 1.58 1.978359743e+02 1.978359743e+02 1.60 1.857221897e+02 1.857221897e+02 1.62 1.743206015e+02 1.743206015e+02 1.64 1.635799707e+02 1.635799707e+02 1.66 1.534541863e+02 1.534541863e+02 1.68 1.439029928e+02 1.439029928e+02 1.70 1.348916373e+02 1.348916373e+02 1.72 1.263896176e+02 1.263896176e+02 1.74 1.183688812e+02 1.183688812e+02 1.76 1.108022662e+02 1.108022662e+02 1.78 1.036627248e+02 1.036627248e+02 1.80 9.692359806e+01 9.692359806e+01 1.82 9.055933165e+01 9.055933165e+01 1.84 8.454651662e+01 8.454651662e+01 1.86 7.886435823e+01 7.886435823e+01 1.88 7.349434185e+01 7.349434185e+01 1.90 6.841927439e+01 6.841927439e+01 1.92 6.362241791e+01 6.362241791e+01 1.94 5.908700698e+01 5.908700698e+01 1.96 5.479724639e+01 5.479724639e+01 1.98 5.073747048e+01 5.073747048e+01 2.00 4.689370320e+01 4.689370320e+01 2.02 4.328670157e+01 4.328670157e+01 2.04 3.991786493e+01 3.991786493e+01 2.06 3.677115786e+01 3.677115786e+01 2.08 3.383220389e+01 3.383220389e+01 2.10 3.108807586e+01 3.108807586e+01 2.12 2.852693244e+01 2.852693244e+01 2.14 2.613767824e+01 2.613767824e+01 2.16 2.390964126e+01 2.390964126e+01 2.18 2.183241959e+01 2.183241959e+01 2.20 1.989592610e+01 1.989592610e+01 2.22 1.809051687e+01 1.809051687e+01 2.24 1.640713168e+01 1.640713168e+01 2.26 1.483738536e+01 1.483738536e+01 2.28 1.337359097e+01 1.337359097e+01 2.30 1.200874980e+01 1.200874980e+01 2.32 1.073651394e+01 1.073651394e+01 2.34 9.551057002e+00 9.551057002e+00 2.36 8.447020015e+00 8.447020015e+00 2.38 7.419415917e+00 7.419415917e+00 2.40 6.463561106e+00 6.463561106e+00 2.42 5.575018941e+00 5.575018941e+00 2.44 4.749572111e+00 4.749572111e+00 2.46 3.983196760e+00 3.983196760e+00 2.48 3.272054230e+00 3.272054230e+00 2.50 2.612486098e+00 2.612486098e+00 2.52 2.001009599e+00 2.001009599e+00 2.54 1.434314529e+00 1.434314529e+00 2.56 9.092676872e-01 9.092676872e-01 2.58 4.229287611e-01 4.229287611e-01 2.60 -2.742717278e-02 -2.742717278e-02 2.62 -4.442927325e-01 -4.442927325e-01 2.64 -8.299242564e-01 -8.299242564e-01 2.66 -1.186361731e+00 -1.186361731e+00 2.68 -1.515454600e+00 -1.515454600e+00 2.70 -1.818895432e+00 -1.818895432e+00 2.72 -2.098249006e+00 -2.098249006e+00 2.74 -2.354973582e+00 -2.354973582e+00 2.76 -2.590433676e+00 -2.590433676e+00 2.78 -2.805909404e+00 -2.805909404e+00 2.80 -3.002700286e+00 -3.002700286e+00 2.82 -3.181868076e+00 -3.181868076e+00 2.84 -3.344361093e+00 -3.344361093e+00 2.86 -3.491091124e+00 -3.491091124e+00 2.88 -3.623709537e+00 -3.623709537e+00 2.90 -3.743409928e+00 -3.743409928e+00 2.92 -3.850768606e+00 -3.850768606e+00 2.94 -3.946385299e+00 -3.946385299e+00 2.96 -4.030883371e+00 -4.030883371e+00 2.98 -4.104832974e+00 -4.104832974e+00 3.00 -4.168668909e+00 -4.168668909e+00 3.02 -4.222843529e+00 -4.222843529e+00 3.04 -4.267828100e+00 -4.267828100e+00 3.06 -4.304110706e+00 -4.304110706e+00 3.08 -4.332157123e+00 -4.332157123e+00 3.10 -4.352422629e+00 -4.352422629e+00 3.12 -4.365343038e+00 -4.365343038e+00 3.14 -4.371349115e+00 -4.371349115e+00 3.16 -4.370851760e+00 -4.370851760e+00 3.18 -4.364258728e+00 -4.364258728e+00 3.20 -4.351972999e+00 -4.351972999e+00 3.22 -4.334393402e+00 -4.334393402e+00 3.24 -4.311914709e+00 -4.311914709e+00 3.26 -4.284927817e+00 -4.284927817e+00 3.28 -4.253819869e+00 -4.253819869e+00 3.30 -4.218973355e+00 -4.218973355e+00 3.32 -4.180763099e+00 -4.180763099e+00 3.34 -4.139550711e+00 -4.139550711e+00 3.36 -4.095677333e+00 -4.095677333e+00 3.38 -4.049456467e+00 -4.049456467e+00 3.40 -4.001167365e+00 -4.001167365e+00 3.42 -3.951059464e+00 -3.951059464e+00 3.44 -3.899343950e+00 -3.899343950e+00 3.46 -3.846204791e+00 -3.846204791e+00 3.48 -3.791801950e+00 -3.791801950e+00 3.50 -3.736276407e+00 -3.736276407e+00 3.52 -3.679754323e+00 -3.679754323e+00 3.54 -3.622350036e+00 -3.622350036e+00 3.56 -3.564167947e+00 -3.564167947e+00 3.58 -3.505303538e+00 -3.505303538e+00 3.60 -3.445843876e+00 -3.445843876e+00 3.62 -3.385867880e+00 -3.385867880e+00 3.64 -3.325446648e+00 -3.325446648e+00 3.66 -3.264644041e+00 -3.264644041e+00 3.68 -3.203517671e+00 -3.203517671e+00 3.70 -3.142120396e+00 -3.142120396e+00 3.72 -3.080502351e+00 -3.080502351e+00 3.74 -3.018713461e+00 -3.018713461e+00 3.76 -2.956806307e+00 -2.956806307e+00 3.78 -2.894856210e+00 -2.894856210e+00 3.80 -2.832936669e+00 -2.832936669e+00 3.82 -2.771103698e+00 -2.771103698e+00 3.84 -2.709432903e+00 -2.709432903e+00 3.86 -2.648040159e+00 -2.648040159e+00 3.88 -2.587054449e+00 -2.587054449e+00 3.90 -2.526601844e+00 -2.526601844e+00 3.92 -2.466796628e+00 -2.466796628e+00 3.94 -2.407750478e+00 -2.407750478e+00 3.96 -2.349544983e+00 -2.349544983e+00 3.98 -2.292243746e+00 -2.292243746e+00 4.00 -2.235883772e+00 -2.235883772e+00 4.02 -2.180482764e+00 -2.180482764e+00 4.04 -2.126043408e+00 -2.126043408e+00 4.06 -2.072557476e+00 -2.072557476e+00 4.08 -2.020010232e+00 -2.020010232e+00 4.10 -1.968376909e+00 -1.968376909e+00 4.12 -1.917658614e+00 -1.917658614e+00 4.14 -1.867834111e+00 -1.867834111e+00 4.16 -1.818897444e+00 -1.818897444e+00 4.18 -1.770849152e+00 -1.770849152e+00 4.20 -1.723696018e+00 -1.723696018e+00 4.22 -1.677449924e+00 -1.677449924e+00 4.24 -1.632126031e+00 -1.632126031e+00 4.26 -1.587740519e+00 -1.587740519e+00 4.28 -1.544308211e+00 -1.544308211e+00 4.30 -1.501840385e+00 -1.501840385e+00 4.32 -1.460343012e+00 -1.460343012e+00 4.34 -1.419815579e+00 -1.419815579e+00 4.36 -1.380250563e+00 -1.380250563e+00 4.38 -1.341633486e+00 -1.341633486e+00 4.40 -1.303943446e+00 -1.303943446e+00 4.42 -1.267153974e+00 -1.267153974e+00 4.44 -1.231234056e+00 -1.231234056e+00 4.46 -1.196149198e+00 -1.196149198e+00 4.48 -1.161862446e+00 -1.161862446e+00 4.50 -1.128335308e+00 -1.128335308e+00 4.52 -1.095528578e+00 -1.095528578e+00 4.54 -1.063403066e+00 -1.063403066e+00 4.56 -1.031920277e+00 -1.031920277e+00 4.58 -1.001043068e+00 -1.001043068e+00 4.60 -9.707363353e-01 -9.707363353e-01 4.62 -9.409677573e-01 -9.409677573e-01 4.64 -9.117086009e-01 -9.117086009e-01 4.66 -8.829345989e-01 -8.829345989e-01 4.68 -8.546268661e-01 -8.546268661e-01 4.70 -8.267728021e-01 -8.267728021e-01 4.72 -7.993669063e-01 -7.993669063e-01 4.74 -7.724114079e-01 -7.724114079e-01 4.76 -7.459166052e-01 -7.459166052e-01 4.78 -7.199008096e-01 -7.199008096e-01 4.80 -6.943832375e-01 -6.943832375e-01 4.82 -6.694103397e-01 -6.694103397e-01 4.84 -6.450113145e-01 -6.450113145e-01 4.86 -6.212260774e-01 -6.212260774e-01 4.88 -5.980950470e-01 -5.980950470e-01 4.90 -5.756567061e-01 -5.756567061e-01 4.92 -5.539452552e-01 -5.539452552e-01 4.94 -5.329885626e-01 -5.329885626e-01 4.96 -5.128065828e-01 -5.128065828e-01 4.98 -4.934103521e-01 -4.934103521e-01 5.00 -4.748016002e-01 -4.748016002e-01 5.02 -4.569729485e-01 -4.569729485e-01 5.04 -4.399086061e-01 -4.399086061e-01 5.06 -4.235854416e-01 -4.235854416e-01 5.08 -4.079742914e-01 -4.079742914e-01 5.10 -3.930413752e-01 -3.930413752e-01 5.12 -3.787497055e-01 -3.787497055e-01 5.14 -3.650604083e-01 -3.650604083e-01 5.16 -3.519339022e-01 -3.519339022e-01 5.18 -3.393309080e-01 -3.393309080e-01 5.20 -3.272132854e-01 -3.272132854e-01 5.22 -3.155447087e-01 -3.155447087e-01 5.24 -3.042911997e-01 -3.042911997e-01 5.26 -2.934215440e-01 -2.934215440e-01 5.28 -2.829076109e-01 -2.829076109e-01 5.30 -2.727245953e-01 -2.727245953e-01 5.32 -2.628511917e-01 -2.628511917e-01 5.34 -2.532697013e-01 -2.532697013e-01 5.36 -2.439660649e-01 -2.439660649e-01 5.38 -2.349298094e-01 -2.349298094e-01 5.40 -2.261538897e-01 -2.261538897e-01 5.42 -2.176344107e-01 -2.176344107e-01 5.44 -2.093702204e-01 -2.093702204e-01 5.46 -2.013623744e-01 -2.013623744e-01 5.48 -1.936134908e-01 -1.936134908e-01 5.50 -1.861270268e-01 -1.861270268e-01 5.52 -1.789065254e-01 -1.789065254e-01 5.54 -1.719548880e-01 -1.719548880e-01 5.56 -1.652737291e-01 -1.652737291e-01 5.58 -1.588628636e-01 -1.588628636e-01 5.60 -1.527199600e-01 -1.527199600e-01 5.62 -1.468403752e-01 -1.468403752e-01 5.64 -1.412171652e-01 -1.412171652e-01 5.66 -1.358412491e-01 -1.358412491e-01 5.68 -1.307016919e-01 -1.307016919e-01 5.70 -1.257860646e-01 -1.257860646e-01 5.72 -1.210808425e-01 -1.210808425e-01 5.74 -1.165718063e-01 -1.165718063e-01 5.76 -1.122444179e-01 -1.122444179e-01 5.78 -1.080841538e-01 -1.080841538e-01 5.80 -1.040767860e-01 -1.040767860e-01 5.82 -1.002086077e-01 -1.002086077e-01 5.84 -9.646660567e-02 -9.646660567e-02 5.86 -9.283858540e-02 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