# 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 = CuPb2W # 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 3.949247863e+02 3.949247863e+02 1.30 3.682714351e+02 3.682714351e+02 1.32 3.435010216e+02 3.435010216e+02 1.34 3.204649910e+02 3.204649910e+02 1.36 2.990286450e+02 2.990286450e+02 1.38 2.790700990e+02 2.790700990e+02 1.40 2.604794054e+02 2.604794054e+02 1.42 2.431568244e+02 2.431568244e+02 1.44 2.270104688e+02 2.270104688e+02 1.46 2.119544111e+02 2.119544111e+02 1.48 1.979079103e+02 1.979079103e+02 1.50 1.847954904e+02 1.847954904e+02 1.52 1.725472109e+02 1.725472109e+02 1.54 1.610988082e+02 1.610988082e+02 1.56 1.503915436e+02 1.503915436e+02 1.58 1.403718984e+02 1.403718984e+02 1.60 1.309911283e+02 1.309911283e+02 1.62 1.222047832e+02 1.222047832e+02 1.64 1.139721173e+02 1.139721173e+02 1.66 1.062555251e+02 1.062555251e+02 1.68 9.902007630e+01 9.902007630e+01 1.70 9.223326114e+01 9.223326114e+01 1.72 8.586504363e+01 8.586504363e+01 1.74 7.988859390e+01 7.988859390e+01 1.76 7.427974862e+01 7.427974862e+01 1.78 6.901716781e+01 6.901716781e+01 1.80 6.408331781e+01 6.408331781e+01 1.82 5.947375050e+01 5.947375050e+01 1.84 5.517448259e+01 5.517448259e+01 1.86 5.116807423e+01 5.116807423e+01 1.88 4.743699898e+01 4.743699898e+01 1.90 4.396363398e+01 4.396363398e+01 1.92 4.073046434e+01 4.073046434e+01 1.94 3.772043152e+01 3.772043152e+01 1.96 3.491724316e+01 3.491724316e+01 1.98 3.230560231e+01 3.230560231e+01 2.00 2.987130314e+01 2.987130314e+01 2.02 2.760121956e+01 2.760121956e+01 2.04 2.548322833e+01 2.548322833e+01 2.06 2.350611628e+01 2.350611628e+01 2.08 2.165950496e+01 2.165950496e+01 2.10 1.993378906e+01 1.993378906e+01 2.12 1.832010948e+01 1.832010948e+01 2.14 1.681032717e+01 1.681032717e+01 2.16 1.539700671e+01 1.539700671e+01 2.18 1.407339630e+01 1.407339630e+01 2.20 1.283339150e+01 1.283339150e+01 2.22 1.167149220e+01 1.167149220e+01 2.24 1.058274858e+01 1.058274858e+01 2.26 9.562701595e+00 9.562701595e+00 2.28 8.607320985e+00 8.607320985e+00 2.30 7.712931378e+00 7.712931378e+00 2.32 6.876131931e+00 6.876131931e+00 2.34 6.093803130e+00 6.093803130e+00 2.36 5.362887878e+00 5.362887878e+00 2.38 4.680359401e+00 4.680359401e+00 2.40 4.043300516e+00 4.043300516e+00 2.42 3.448904462e+00 3.448904462e+00 2.44 2.894490083e+00 2.894490083e+00 2.46 2.377524928e+00 2.377524928e+00 2.48 1.895644378e+00 1.895644378e+00 2.50 1.446687546e+00 1.446687546e+00 2.52 1.028831621e+00 1.028831621e+00 2.54 6.404397966e-01 6.404397966e-01 2.56 2.799694179e-01 2.799694179e-01 2.58 -5.403734445e-02 -5.403734445e-02 2.60 -3.629646207e-01 -3.629646207e-01 2.62 -6.481329886e-01 -6.481329886e-01 2.64 -9.108151938e-01 -9.108151938e-01 2.66 -1.152236465e+00 -1.152236465e+00 2.68 -1.373586218e+00 -1.373586218e+00 2.70 -1.576018012e+00 -1.576018012e+00 2.72 -1.760646768e+00 -1.760646768e+00 2.74 -1.928542419e+00 -1.928542419e+00 2.76 -2.080722160e+00 -2.080722160e+00 2.78 -2.218144057e+00 -2.218144057e+00 2.80 -2.341773454e+00 -2.341773454e+00 2.82 -2.452661767e+00 -2.452661767e+00 2.84 -2.551319840e+00 -2.551319840e+00 2.86 -2.638203048e+00 -2.638203048e+00 2.88 -2.713784183e+00 -2.713784183e+00 2.90 -2.778559699e+00 -2.778559699e+00 2.92 -2.833055038e+00 -2.833055038e+00 2.94 -2.877835658e+00 -2.877835658e+00 2.96 -2.913545048e+00 -2.913545048e+00 2.98 -2.940861247e+00 -2.940861247e+00 3.00 -2.960468683e+00 -2.960468683e+00 3.02 -2.973047320e+00 -2.973047320e+00 3.04 -2.979259781e+00 -2.979259781e+00 3.06 -2.979740773e+00 -2.979740773e+00 3.08 -2.975083030e+00 -2.975083030e+00 3.10 -2.965831146e+00 -2.965831146e+00 3.12 -2.952474394e+00 -2.952474394e+00 3.14 -2.935451377e+00 -2.935451377e+00 3.16 -2.915139811e+00 -2.915139811e+00 3.18 -2.891865468e+00 -2.891865468e+00 3.20 -2.865901959e+00 -2.865901959e+00 3.22 -2.837472564e+00 -2.837472564e+00 3.24 -2.806752530e+00 -2.806752530e+00 3.26 -2.773872684e+00 -2.773872684e+00 3.28 -2.738950244e+00 -2.738950244e+00 3.30 -2.702128023e+00 -2.702128023e+00 3.32 -2.663324208e+00 -2.663324208e+00 3.34 -2.622443731e+00 -2.622443731e+00 3.36 -2.579420153e+00 -2.579420153e+00 3.38 -2.534226949e+00 -2.534226949e+00 3.40 -2.486883417e+00 -2.486883417e+00 3.42 -2.437416794e+00 -2.437416794e+00 3.44 -2.385882813e+00 -2.385882813e+00 3.46 -2.332412251e+00 -2.332412251e+00 3.48 -2.277206286e+00 -2.277206286e+00 3.50 -2.220526279e+00 -2.220526279e+00 3.52 -2.162679592e+00 -2.162679592e+00 3.54 -2.104002790e+00 -2.104002790e+00 3.56 -2.044843927e+00 -2.044843927e+00 3.58 -1.985545714e+00 -1.985545714e+00 3.60 -1.926431120e+00 -1.926431120e+00 3.62 -1.867792504e+00 -1.867792504e+00 3.64 -1.809884815e+00 -1.809884815e+00 3.66 -1.752922737e+00 -1.752922737e+00 3.68 -1.697081247e+00 -1.697081247e+00 3.70 -1.642498663e+00 -1.642498663e+00 3.72 -1.589281195e+00 -1.589281195e+00 3.74 -1.537508044e+00 -1.537508044e+00 3.76 -1.487236309e+00 -1.487236309e+00 3.78 -1.438505179e+00 -1.438505179e+00 3.80 -1.391339187e+00 -1.391339187e+00 3.82 -1.345750472e+00 -1.345750472e+00 3.84 -1.301740172e+00 -1.301740172e+00 3.86 -1.259299163e+00 -1.259299163e+00 3.88 -1.218408386e+00 -1.218408386e+00 3.90 -1.179039055e+00 -1.179039055e+00 3.92 -1.141152127e+00 -1.141152127e+00 3.94 -1.104702419e+00 -1.104702419e+00 3.96 -1.069634074e+00 -1.069634074e+00 3.98 -1.035885799e+00 -1.035885799e+00 4.00 -1.003391467e+00 -1.003391467e+00 4.02 -9.720818638e-01 -9.720818638e-01 4.04 -9.418863960e-01 -9.418863960e-01 4.06 -9.127346271e-01 -9.127346271e-01 4.08 -8.845575564e-01 -8.845575564e-01 4.10 -8.572862257e-01 -8.572862257e-01 4.12 -8.308624067e-01 -8.308624067e-01 4.14 -8.052234055e-01 -8.052234055e-01 4.16 -7.803134117e-01 -7.803134117e-01 4.18 -7.560808216e-01 -7.560808216e-01 4.20 -7.324784517e-01 -7.324784517e-01 4.22 -7.094637744e-01 -7.094637744e-01 4.24 -6.869992065e-01 -6.869992065e-01 4.26 -6.650524614e-01 -6.650524614e-01 4.28 -6.435969479e-01 -6.435969479e-01 4.30 -6.226121788e-01 -6.226121788e-01 4.32 -6.020841233e-01 -6.020841233e-01 4.34 -5.820054236e-01 -5.820054236e-01 4.36 -5.623753833e-01 -5.623753833e-01 4.38 -5.431996430e-01 -5.431996430e-01 4.40 -5.244894810e-01 -5.244894810e-01 4.42 -5.062607171e-01 -5.062607171e-01 4.44 -4.885322530e-01 -4.885322530e-01 4.46 -4.713243431e-01 -4.713243431e-01 4.48 -4.546567397e-01 -4.546567397e-01 4.50 -4.385468890e-01 -4.385468890e-01 4.52 -4.230083548e-01 -4.230083548e-01 4.54 -4.080496188e-01 -4.080496188e-01 4.56 -3.936733506e-01 -3.936733506e-01 4.58 -3.798761741e-01 -3.798761741e-01 4.60 -3.666488940e-01 -3.666488940e-01 4.62 -3.539770935e-01 -3.539770935e-01 4.64 -3.418419889e-01 -3.418419889e-01 4.66 -3.302214186e-01 -3.302214186e-01 4.68 -3.190908572e-01 -3.190908572e-01 4.70 -3.084243692e-01 -3.084243692e-01 4.72 -2.981954438e-01 -2.981954438e-01 4.74 -2.883776821e-01 -2.883776821e-01 4.76 -2.789453263e-01 -2.789453263e-01 4.78 -2.698736406e-01 -2.698736406e-01 4.80 -2.611376082e-01 -2.611376082e-01 4.82 -2.527185358e-01 -2.527185358e-01 4.84 -2.445940086e-01 -2.445940086e-01 4.86 -2.367449336e-01 -2.367449336e-01 4.88 -2.291536494e-01 -2.291536494e-01 4.90 -2.218038610e-01 -2.218038610e-01 4.92 -2.146805632e-01 -2.146805632e-01 4.94 -2.077699663e-01 -2.077699663e-01 4.96 -2.010594275e-01 -2.010594275e-01 4.98 -1.945373941e-01 -1.945373941e-01 5.00 -1.881933624e-01 -1.881933624e-01 5.02 -1.820178525e-01 -1.820178525e-01 5.04 -1.760023986e-01 -1.760023986e-01 5.06 -1.701395543e-01 -1.701395543e-01 5.08 -1.644229053e-01 -1.644229053e-01 5.10 -1.588470879e-01 -1.588470879e-01 5.12 -1.534078052e-01 -1.534078052e-01 5.14 -1.481018336e-01 -1.481018336e-01 5.16 -1.429270102e-01 -1.429270102e-01 5.18 -1.378821939e-01 -1.378821939e-01 5.20 -1.329671918e-01 -1.329671918e-01 5.22 -1.281826464e-01 -1.281826464e-01 5.24 -1.235298824e-01 -1.235298824e-01 5.26 -1.190106474e-01 -1.190106474e-01 5.28 -1.146264694e-01 -1.146264694e-01 5.30 -1.103795501e-01 -1.103795501e-01 5.32 -1.062720056e-01 -1.062720056e-01 5.34 -1.023054419e-01 -1.023054419e-01 5.36 -9.848074614e-02 -9.848074614e-02 5.38 -9.479792266e-02 -9.479792266e-02 5.40 -9.125598522e-02 -9.125598522e-02 5.42 -8.785290858e-02 -8.785290858e-02 5.44 -8.458563877e-02 -8.458563877e-02 5.46 -8.145015560e-02 -8.145015560e-02 5.48 -7.844157696e-02 -7.844157696e-02 5.50 -7.555429292e-02 -7.555429292e-02 5.52 -7.278211661e-02 -7.278211661e-02 5.54 -7.011844038e-02 -7.011844038e-02 5.56 -6.755638729e-02 -6.755638729e-02 5.58 -6.508895098e-02 -6.508895098e-02 5.60 -6.270911924e-02 -6.270911924e-02 5.62 -6.040997917e-02 -6.040997917e-02 5.64 -5.818480393e-02 -5.818480393e-02 5.66 -5.602712233e-02 -5.602712233e-02 5.68 -5.393077381e-02 -5.393077381e-02 5.70 -5.188995163e-02 -5.188995163e-02 5.72 -4.989923727e-02 -4.989923727e-02 5.74 -4.795362917e-02 -4.795362917e-02 5.76 -4.604856807e-02 -4.604856807e-02 5.78 -4.417996122e-02 -4.417996122e-02 5.80 -4.234420678e-02 -4.234420678e-02 5.82 -4.053821912e-02 -4.053821912e-02 5.84 -3.875945506e-02 -3.875945506e-02 5.86 -3.700594026e-02 -3.700594026e-02 5.88 -3.527629437e-02 -3.527629437e-02 5.90 -3.356975266e-02 -3.356975266e-02 5.92 -3.188618157e-02 -3.188618157e-02 5.94 -3.022608490e-02 -3.022608490e-02 5.96 -2.859059762e-02 -2.859059762e-02 5.98 -2.698146331e-02 -2.698146331e-02 6.00 -2.540099383e-02 -2.540099383e-02