# 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 = Al2MoPt # 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 2.045208521e+02 2.045208521e+02 1.30 1.903784442e+02 1.903784442e+02 1.32 1.771546495e+02 1.771546495e+02 1.34 1.648076666e+02 1.648076666e+02 1.36 1.533024185e+02 1.533024185e+02 1.38 1.425961358e+02 1.425961358e+02 1.40 1.326326803e+02 1.326326803e+02 1.42 1.233472572e+02 1.233472572e+02 1.44 1.146758582e+02 1.146758582e+02 1.46 1.065631117e+02 1.065631117e+02 1.48 9.896486988e+01 9.896486988e+01 1.50 9.184540630e+01 9.184540630e+01 1.52 8.517243455e+01 8.517243455e+01 1.54 7.891374174e+01 7.891374174e+01 1.56 7.303671282e+01 7.303671282e+01 1.58 6.750956559e+01 6.750956559e+01 1.60 6.230281251e+01 6.230281251e+01 1.62 5.739039336e+01 5.739039336e+01 1.64 5.275053641e+01 5.275053641e+01 1.66 4.836629840e+01 4.836629840e+01 1.68 4.422544892e+01 4.422544892e+01 1.70 4.032089715e+01 4.032089715e+01 1.72 3.667413648e+01 3.667413648e+01 1.74 3.331680005e+01 3.331680005e+01 1.76 3.023026748e+01 3.023026748e+01 1.78 2.739661144e+01 2.739661144e+01 1.80 2.479494275e+01 2.479494275e+01 1.82 2.240401435e+01 2.240401435e+01 1.84 2.020415314e+01 2.020415314e+01 1.86 1.817768558e+01 1.817768558e+01 1.88 1.630896112e+01 1.630896112e+01 1.90 1.458420083e+01 1.458420083e+01 1.92 1.299132928e+01 1.299132928e+01 1.94 1.151982200e+01 1.151982200e+01 1.96 1.016052400e+01 1.016052400e+01 1.98 8.905397273e+00 8.905397273e+00 2.00 7.747209964e+00 7.747209964e+00 2.02 6.679235827e+00 6.679235827e+00 2.04 5.695043048e+00 5.695043048e+00 2.06 4.788403548e+00 4.788403548e+00 2.08 3.953292593e+00 3.953292593e+00 2.10 3.183927221e+00 3.183927221e+00 2.12 2.474812176e+00 2.474812176e+00 2.14 1.820789073e+00 1.820789073e+00 2.16 1.217092525e+00 1.217092525e+00 2.18 6.594079051e-01 6.594079051e-01 2.20 1.439147892e-01 1.439147892e-01 2.22 -3.327001671e-01 -3.327001671e-01 2.24 -7.732668180e-01 -7.732668180e-01 2.26 -1.180184997e+00 -1.180184997e+00 2.28 -1.555494295e+00 -1.555494295e+00 2.30 -1.900946948e+00 -1.900946948e+00 2.32 -2.218075945e+00 -2.218075945e+00 2.34 -2.508255119e+00 -2.508255119e+00 2.36 -2.772751312e+00 -2.772751312e+00 2.38 -3.012768489e+00 -3.012768489e+00 2.40 -3.229482769e+00 -3.229482769e+00 2.42 -3.424066549e+00 -3.424066549e+00 2.44 -3.597700909e+00 -3.597700909e+00 2.46 -3.751578583e+00 -3.751578583e+00 2.48 -3.886902846e+00 -3.886902846e+00 2.50 -4.005154409e+00 -4.005154409e+00 2.52 -4.108576451e+00 -4.108576451e+00 2.54 -4.198319976e+00 -4.198319976e+00 2.56 -4.275479852e+00 -4.275479852e+00 2.58 -4.341189501e+00 -4.341189501e+00 2.60 -4.396595156e+00 -4.396595156e+00 2.62 -4.442812730e+00 -4.442812730e+00 2.64 -4.480872303e+00 -4.480872303e+00 2.66 -4.511660923e+00 -4.511660923e+00 2.68 -4.535809801e+00 -4.535809801e+00 2.70 -4.553674386e+00 -4.553674386e+00 2.72 -4.565471186e+00 -4.565471186e+00 2.74 -4.571311698e+00 -4.571311698e+00 2.76 -4.571235114e+00 -4.571235114e+00 2.78 -4.565242138e+00 -4.565242138e+00 2.80 -4.553324560e+00 -4.553324560e+00 2.82 -4.535488978e+00 -4.535488978e+00 2.84 -4.511775980e+00 -4.511775980e+00 2.86 -4.482276842e+00 -4.482276842e+00 2.88 -4.447603272e+00 -4.447603272e+00 2.90 -4.408773194e+00 -4.408773194e+00 2.92 -4.365779913e+00 -4.365779913e+00 2.94 -4.318730304e+00 -4.318730304e+00 2.96 -4.267873918e+00 -4.267873918e+00 2.98 -4.213582090e+00 -4.213582090e+00 3.00 -4.156316214e+00 -4.156316214e+00 3.02 -4.096587855e+00 -4.096587855e+00 3.04 -4.034915976e+00 -4.034915976e+00 3.06 -3.971792256e+00 -3.971792256e+00 3.08 -3.907667628e+00 -3.907667628e+00 3.10 -3.842912454e+00 -3.842912454e+00 3.12 -3.777797401e+00 -3.777797401e+00 3.14 -3.712494596e+00 -3.712494596e+00 3.16 -3.647086773e+00 -3.647086773e+00 3.18 -3.581582462e+00 -3.581582462e+00 3.20 -3.515940336e+00 -3.515940336e+00 3.22 -3.450133518e+00 -3.450133518e+00 3.24 -3.384120115e+00 -3.384120115e+00 3.26 -3.317829340e+00 -3.317829340e+00 3.28 -3.251185133e+00 -3.251185133e+00 3.30 -3.184124117e+00 -3.184124117e+00 3.32 -3.116608586e+00 -3.116608586e+00 3.34 -3.048635438e+00 -3.048635438e+00 3.36 -2.980241709e+00 -2.980241709e+00 3.38 -2.911507011e+00 -2.911507011e+00 3.40 -2.842553000e+00 -2.842553000e+00 3.42 -2.773539953e+00 -2.773539953e+00 3.44 -2.704660559e+00 -2.704660559e+00 3.46 -2.636131362e+00 -2.636131362e+00 3.48 -2.568182450e+00 -2.568182450e+00 3.50 -2.501046254e+00 -2.501046254e+00 3.52 -2.434946467e+00 -2.434946467e+00 3.54 -2.370088028e+00 -2.370088028e+00 3.56 -2.306648977e+00 -2.306648977e+00 3.58 -2.244774692e+00 -2.244774692e+00 3.60 -2.184574692e+00 -2.184574692e+00 3.62 -2.126121887e+00 -2.126121887e+00 3.64 -2.069453913e+00 -2.069453913e+00 3.66 -2.014576066e+00 -2.014576066e+00 3.68 -1.961465275e+00 -1.961465275e+00 3.70 -1.910074631e+00 -1.910074631e+00 3.72 -1.860338043e+00 -1.860338043e+00 3.74 -1.812174707e+00 -1.812174707e+00 3.76 -1.765493197e+00 -1.765493197e+00 3.78 -1.720195054e+00 -1.720195054e+00 3.80 -1.676177839e+00 -1.676177839e+00 3.82 -1.633337652e+00 -1.633337652e+00 3.84 -1.591571148e+00 -1.591571148e+00 3.86 -1.550777122e+00 -1.550777122e+00 3.88 -1.510857709e+00 -1.510857709e+00 3.90 -1.471719274e+00 -1.471719274e+00 3.92 -1.433273086e+00 -1.433273086e+00 3.94 -1.395435861e+00 -1.395435861e+00 3.96 -1.358130194e+00 -1.358130194e+00 3.98 -1.321285088e+00 -1.321285088e+00 4.00 -1.284836557e+00 -1.284836557e+00 4.02 -1.248728416e+00 -1.248728416e+00 4.04 -1.212913299e+00 -1.212913299e+00 4.06 -1.177353887e+00 -1.177353887e+00 4.08 -1.142024324e+00 -1.142024324e+00 4.10 -1.106911658e+00 -1.106911658e+00 4.12 -1.072017288e+00 -1.072017288e+00 4.14 -1.037357877e+00 -1.037357877e+00 4.16 -1.002965934e+00 -1.002965934e+00 4.18 -9.688895175e-01 -9.688895175e-01 4.20 -9.351910689e-01 -9.351910689e-01 4.22 -9.019452865e-01 -9.019452865e-01 4.24 -8.692361067e-01 -8.692361067e-01 4.26 -8.371529559e-01 -8.371529559e-01 4.28 -8.057865101e-01 -8.057865101e-01 4.30 -7.752242443e-01 -7.752242443e-01 4.32 -7.455460663e-01 -7.455460663e-01 4.34 -7.168203133e-01 -7.168203133e-01 4.36 -6.891003711e-01 -6.891003711e-01 4.38 -6.624221295e-01 -6.624221295e-01 4.40 -6.368024322e-01 -6.368024322e-01 4.42 -6.122386010e-01 -6.122386010e-01 4.44 -5.887090193e-01 -5.887090193e-01 4.46 -5.661746604e-01 -5.661746604e-01 4.48 -5.445813711e-01 -5.445813711e-01 4.50 -5.238626652e-01 -5.238626652e-01 4.52 -5.039427786e-01 -5.039427786e-01 4.54 -4.847397592e-01 -4.847397592e-01 4.56 -4.661684201e-01 -4.661684201e-01 4.58 -4.481430463e-01 -4.481430463e-01 4.60 -4.305798065e-01 -4.305798065e-01 4.62 -4.133988697e-01 -4.133988697e-01 4.64 -3.965262574e-01 -3.965262574e-01 4.66 -3.798954735e-01 -3.798954735e-01 4.68 -3.634489523e-01 -3.634489523e-01 4.70 -3.471393423e-01 -3.471393423e-01 4.72 -3.309306256e-01 -3.309306256e-01 4.74 -3.147990358e-01 -3.147990358e-01 4.76 -2.987337218e-01 -2.987337218e-01 4.78 -2.827370810e-01 -2.827370810e-01 4.80 -2.668246756e-01 -2.668246756e-01 4.82 -2.510247375e-01 -2.510247375e-01 4.84 -2.353770434e-01 -2.353770434e-01 4.86 -2.199314100e-01 -2.199314100e-01 4.88 -2.047456641e-01 -2.047456641e-01 4.90 -1.898832540e-01 -1.898832540e-01 4.92 -1.754106143e-01 -1.754106143e-01 4.94 -1.613944242e-01 -1.613944242e-01 4.96 -1.478989101e-01 -1.478989101e-01 4.98 -1.349833352e-01 -1.349833352e-01 5.00 -1.226997962e-01 -1.226997962e-01 5.02 -1.110914389e-01 -1.110914389e-01 5.04 -1.001911576e-01 -1.001911576e-01 5.06 -9.002080848e-02 -9.002080848e-02 5.08 -8.059096440e-02 -8.059096440e-02 5.10 -7.190117585e-02 -7.190117585e-02 5.12 -6.394071728e-02 -6.394071728e-02 5.14 -5.668968361e-02 -5.668968361e-02 5.16 -5.012030812e-02 -5.012030812e-02 5.18 -4.419810136e-02 -4.419810136e-02 5.20 -3.888459897e-02 -3.888459897e-02 5.22 -3.413819857e-02 -3.413819857e-02 5.24 -2.991539435e-02 -2.991539435e-02 5.26 -2.617208614e-02 -2.617208614e-02 5.28 -2.286466629e-02 -2.286466629e-02 5.30 -1.995089041e-02 -1.995089041e-02 5.32 -1.739052384e-02 -1.739052384e-02 5.34 -1.514578989e-02 -1.514578989e-02 5.36 -1.318165429e-02 -1.318165429e-02 5.38 -1.146633053e-02 -1.146633053e-02 5.40 -9.970488459e-03 -9.970488459e-03 5.42 -8.667441099e-03 -8.667441099e-03 5.44 -7.533371072e-03 -7.533371072e-03 5.46 -6.547111630e-03 -6.547111630e-03 5.48 -5.689923736e-03 -5.689923736e-03 5.50 -4.945274749e-03 -4.945274749e-03 5.52 -4.298623366e-03 -4.298623366e-03 5.54 -3.737214373e-03 -3.737214373e-03 5.56 -3.249885730e-03 -3.249885730e-03 5.58 -2.826889610e-03 -2.826889610e-03 5.60 -2.459728207e-03 -2.459728207e-03 5.62 -2.141004530e-03 -2.141004530e-03 5.64 -1.864287902e-03 -1.864287902e-03 5.66 -1.623993555e-03 -1.623993555e-03 5.68 -1.415275485e-03 -1.415275485e-03 5.70 -1.233931583e-03 -1.233931583e-03 5.72 -1.076320000e-03 -1.076320000e-03 5.74 -9.392856864e-04 -9.392856864e-04 5.76 -8.200960668e-04 -8.200960668e-04 5.78 -7.163848651e-04 -7.163848651e-04 5.80 -6.261031559e-04 -6.261031559e-04 5.82 -5.474767924e-04 -5.474767924e-04 5.84 -4.789694364e-04 -4.789694364e-04 5.86 -4.192504964e-04 -4.192504964e-04 5.88 -3.671673495e-04 -3.671673495e-04 5.90 -3.217212966e-04 -3.217212966e-04 5.92 -2.820467621e-04 -2.820467621e-04 5.94 -2.473933096e-04 -2.473933096e-04 5.96 -2.171100977e-04 -2.171100977e-04 5.98 -1.906324504e-04 -1.906324504e-04 6.00 -1.674702527e-04 -1.674702527e-04