# 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 = AuTa2W # 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 4.374717203e+02 4.374717203e+02 1.30 4.058714552e+02 4.058714552e+02 1.32 3.766078251e+02 3.766078251e+02 1.34 3.495040687e+02 3.495040687e+02 1.36 3.243960937e+02 3.243960937e+02 1.38 3.011295549e+02 3.011295549e+02 1.40 2.795584651e+02 2.795584651e+02 1.42 2.595453360e+02 2.595453360e+02 1.44 2.409622184e+02 2.409622184e+02 1.46 2.236917383e+02 2.236917383e+02 1.48 2.076275938e+02 2.076275938e+02 1.50 1.926744202e+02 1.926744202e+02 1.52 1.787470963e+02 1.787470963e+02 1.54 1.657696072e+02 1.657696072e+02 1.56 1.536736586e+02 1.536736586e+02 1.58 1.423973125e+02 1.423973125e+02 1.60 1.318838725e+02 1.318838725e+02 1.62 1.220810755e+02 1.220810755e+02 1.64 1.129405333e+02 1.129405333e+02 1.66 1.044173559e+02 1.044173559e+02 1.68 9.646991007e+01 9.646991007e+01 1.70 8.905963673e+01 8.905963673e+01 1.72 8.215082129e+01 8.215082129e+01 1.74 7.571023997e+01 7.571023997e+01 1.76 6.970669930e+01 6.970669930e+01 1.78 6.411058221e+01 6.411058221e+01 1.80 5.889354874e+01 5.889354874e+01 1.82 5.402848691e+01 5.402848691e+01 1.84 4.948969216e+01 4.948969216e+01 1.86 4.525314579e+01 4.525314579e+01 1.88 4.129673925e+01 4.129673925e+01 1.90 3.760035849e+01 3.760035849e+01 1.92 3.414583238e+01 3.414583238e+01 1.94 3.091680416e+01 3.091680416e+01 1.96 2.790421754e+01 2.790421754e+01 1.98 2.509974952e+01 2.509974952e+01 2.00 2.249972312e+01 2.249972312e+01 2.02 2.009423082e+01 2.009423082e+01 2.04 1.787027888e+01 1.787027888e+01 2.06 1.581527136e+01 1.581527136e+01 2.08 1.391698542e+01 1.391698542e+01 2.10 1.216364780e+01 1.216364780e+01 2.12 1.054406752e+01 1.054406752e+01 2.14 9.047777342e+00 9.047777342e+00 2.16 7.665145844e+00 7.665145844e+00 2.18 6.387435680e+00 6.387435680e+00 2.20 5.206798509e+00 5.206798509e+00 2.22 4.116211331e+00 4.116211331e+00 2.24 3.109369449e+00 3.109369449e+00 2.26 2.180556459e+00 2.180556459e+00 2.28 1.324512058e+00 1.324512058e+00 2.30 5.363157797e-01 5.363157797e-01 2.32 -1.886997142e-01 -1.886997142e-01 2.34 -8.549982020e-01 -8.549982020e-01 2.36 -1.466852146e+00 -1.466852146e+00 2.38 -2.028325158e+00 -2.028325158e+00 2.40 -2.543238234e+00 -2.543238234e+00 2.42 -3.015135336e+00 -3.015135336e+00 2.44 -3.447261139e+00 -3.447261139e+00 2.46 -3.842557468e+00 -3.842557468e+00 2.48 -4.203678084e+00 -4.203678084e+00 2.50 -4.533016671e+00 -4.533016671e+00 2.52 -4.832741290e+00 -4.832741290e+00 2.54 -5.104829555e+00 -5.104829555e+00 2.56 -5.351100656e+00 -5.351100656e+00 2.58 -5.573241814e+00 -5.573241814e+00 2.60 -5.772827690e+00 -5.772827690e+00 2.62 -5.951332201e+00 -5.951332201e+00 2.64 -6.110111118e+00 -6.110111118e+00 2.66 -6.250395480e+00 -6.250395480e+00 2.68 -6.373260688e+00 -6.373260688e+00 2.70 -6.479899421e+00 -6.479899421e+00 2.72 -6.571534192e+00 -6.571534192e+00 2.74 -6.649264999e+00 -6.649264999e+00 2.76 -6.714081259e+00 -6.714081259e+00 2.78 -6.766872843e+00 -6.766872843e+00 2.80 -6.808440018e+00 -6.808440018e+00 2.82 -6.839495952e+00 -6.839495952e+00 2.84 -6.860505170e+00 -6.860505170e+00 2.86 -6.871480236e+00 -6.871480236e+00 2.88 -6.872381195e+00 -6.872381195e+00 2.90 -6.863239419e+00 -6.863239419e+00 2.92 -6.844148516e+00 -6.844148516e+00 2.94 -6.815256988e+00 -6.815256988e+00 2.96 -6.776761610e+00 -6.776761610e+00 2.98 -6.728900607e+00 -6.728900607e+00 3.00 -6.671946002e+00 -6.671946002e+00 3.02 -6.606212797e+00 -6.606212797e+00 3.04 -6.532101021e+00 -6.532101021e+00 3.06 -6.449825261e+00 -6.449825261e+00 3.08 -6.359597093e+00 -6.359597093e+00 3.10 -6.261654386e+00 -6.261654386e+00 3.12 -6.156251712e+00 -6.156251712e+00 3.14 -6.043654824e+00 -6.043654824e+00 3.16 -5.924139764e+00 -5.924139764e+00 3.18 -5.797991168e+00 -5.797991168e+00 3.20 -5.665517255e+00 -5.665517255e+00 3.22 -5.527068826e+00 -5.527068826e+00 3.24 -5.383052487e+00 -5.383052487e+00 3.26 -5.233942471e+00 -5.233942471e+00 3.28 -5.080288877e+00 -5.080288877e+00 3.30 -4.922720407e+00 -4.922720407e+00 3.32 -4.761940435e+00 -4.761940435e+00 3.34 -4.598716141e+00 -4.598716141e+00 3.36 -4.433861371e+00 -4.433861371e+00 3.38 -4.268214689e+00 -4.268214689e+00 3.40 -4.102614509e+00 -4.102614509e+00 3.42 -3.937873368e+00 -3.937873368e+00 3.44 -3.774753193e+00 -3.774753193e+00 3.46 -3.613943093e+00 -3.613943093e+00 3.48 -3.456040881e+00 -3.456040881e+00 3.50 -3.301539213e+00 -3.301539213e+00 3.52 -3.150817017e+00 -3.150817017e+00 3.54 -3.004136710e+00 -3.004136710e+00 3.56 -2.861647400e+00 -2.861647400e+00 3.58 -2.723393986e+00 -2.723393986e+00 3.60 -2.589331645e+00 -2.589331645e+00 3.62 -2.459344797e+00 -2.459344797e+00 3.64 -2.333269262e+00 -2.333269262e+00 3.66 -2.210916082e+00 -2.210916082e+00 3.68 -2.092095329e+00 -2.092095329e+00 3.70 -1.976638223e+00 -1.976638223e+00 3.72 -1.864416005e+00 -1.864416005e+00 3.74 -1.755354214e+00 -1.755354214e+00 3.76 -1.649441334e+00 -1.649441334e+00 3.78 -1.546731208e+00 -1.546731208e+00 3.80 -1.447339096e+00 -1.447339096e+00 3.82 -1.351431809e+00 -1.351431809e+00 3.84 -1.259212948e+00 -1.259212948e+00 3.86 -1.170904738e+00 -1.170904738e+00 3.88 -1.086728308e+00 -1.086728308e+00 3.90 -1.006884397e+00 -1.006884397e+00 3.92 -9.315363142e-01 -9.315363142e-01 3.94 -8.607966179e-01 -8.607966179e-01 3.96 -7.947184392e-01 -7.947184392e-01 3.98 -7.332917589e-01 -7.332917589e-01 4.00 -6.764443696e-01 -6.764443696e-01 4.02 -6.240468055e-01 -6.240468055e-01 4.04 -5.759202343e-01 -5.759202343e-01 4.06 -5.318462069e-01 -5.318462069e-01 4.08 -4.915772105e-01 -4.915772105e-01 4.10 -4.548471311e-01 -4.548471311e-01 4.12 -4.213809565e-01 -4.213809565e-01 4.14 -3.909032524e-01 -3.909032524e-01 4.16 -3.631451985e-01 -3.631451985e-01 4.18 -3.378500822e-01 -3.378500822e-01 4.20 -3.147773024e-01 -3.147773024e-01 4.22 -2.937049908e-01 -2.937049908e-01 4.24 -2.744314080e-01 -2.744314080e-01 4.26 -2.567752839e-01 -2.567752839e-01 4.28 -2.405752827e-01 -2.405752827e-01 4.30 -2.256887761e-01 -2.256887761e-01 4.32 -2.119901121e-01 -2.119901121e-01 4.34 -1.993685679e-01 -1.993685679e-01 4.36 -1.877261744e-01 -1.877261744e-01 4.38 -1.769755807e-01 -1.769755807e-01 4.40 -1.670381062e-01 -1.670381062e-01 4.42 -1.578420800e-01 -1.578420800e-01 4.44 -1.493214806e-01 -1.493214806e-01 4.46 -1.414148471e-01 -1.414148471e-01 4.48 -1.340651409e-01 -1.340651409e-01 4.50 -1.272189531e-01 -1.272189531e-01 4.52 -1.208262584e-01 -1.208262584e-01 4.54 -1.148403447e-01 -1.148403447e-01 4.56 -1.092175963e-01 -1.092175963e-01 4.58 -1.039178676e-01 -1.039178676e-01 4.60 -9.890440013e-02 -9.890440013e-02 4.62 -9.414350904e-02 -9.414350904e-02 4.64 -8.960454330e-02 -8.960454330e-02 4.66 -8.525981465e-02 -8.525981465e-02 4.68 -8.108451315e-02 -8.108451315e-02 4.70 -7.705662441e-02 -7.705662441e-02 4.72 -7.315686087e-02 -7.315686087e-02 4.74 -6.936861506e-02 -6.936861506e-02 4.76 -6.567793793e-02 -6.567793793e-02 4.78 -6.207354010e-02 -6.207354010e-02 4.80 -5.854680741e-02 -5.854680741e-02 4.82 -5.509182182e-02 -5.509182182e-02 4.84 -5.170536122e-02 -5.170536122e-02 4.86 -4.838686708e-02 -4.838686708e-02 4.88 -4.513835004e-02 -4.513835004e-02 4.90 -4.196421996e-02 -4.196421996e-02 4.92 -3.887101860e-02 -3.887101860e-02 4.94 -3.586704925e-02 -3.586704925e-02 4.96 -3.296190614e-02 -3.296190614e-02 4.98 -3.016592706e-02 -3.016592706e-02 5.00 -2.748958445e-02 -2.748958445e-02 5.02 -2.494286402e-02 -2.494286402e-02 5.04 -2.253467761e-02 -2.253467761e-02 5.06 -2.027235290e-02 -2.027235290e-02 5.08 -1.816123789e-02 -1.816123789e-02 5.10 -1.620423432e-02 -1.620423432e-02 5.12 -1.440201183e-02 -1.440201183e-02 5.14 -1.275324636e-02 -1.275324636e-02 5.16 -1.125441919e-02 -1.125441919e-02 5.18 -9.900097448e-03 -9.900097448e-03 5.20 -8.683279894e-03 -8.683279894e-03 5.22 -7.595772428e-03 -7.595772428e-03 5.24 -6.628562987e-03 -6.628562987e-03 5.26 -5.772171822e-03 -5.772171822e-03 5.28 -5.016960626e-03 -5.016960626e-03 5.30 -4.353391119e-03 -4.353391119e-03 5.32 -3.772229846e-03 -3.772229846e-03 5.34 -3.264700644e-03 -3.264700644e-03 5.36 -2.822589475e-03 -2.822589475e-03 5.38 -2.438308144e-03 -2.438308144e-03 5.40 -2.104924229e-03 -2.104924229e-03 5.42 -1.816164440e-03 -1.816164440e-03 5.44 -1.566398138e-03 -1.566398138e-03 5.46 -1.350606807e-03 -1.350606807e-03 5.48 -1.164344355e-03 -1.164344355e-03 5.50 -1.003692113e-03 -1.003692113e-03 5.52 -8.652115219e-04 -8.652115219e-04 5.54 -7.458967053e-04 -7.458967053e-04 5.56 -6.431284919e-04 -6.431284919e-04 5.58 -5.546309166e-04 -5.546309166e-04 5.60 -4.784308317e-04 -4.784308317e-04 5.62 -4.128209536e-04 -4.128209536e-04 5.64 -3.563264479e-04 -3.563264479e-04 5.66 -3.076750008e-04 -3.076750008e-04 5.68 -2.657702231e-04 -2.657702231e-04 5.70 -2.296681680e-04 -2.296681680e-04 5.72 -1.985567086e-04 -1.985567086e-04 5.74 -1.717375090e-04 -1.717375090e-04 5.76 -1.486103211e-04 -1.486103211e-04 5.78 -1.286593498e-04 -1.286593498e-04 5.80 -1.114414449e-04 -1.114414449e-04 5.82 -9.657589803e-05 -9.657589803e-05 5.84 -8.373564104e-05 -8.373564104e-05 5.86 -7.263966569e-05 -7.263966569e-05 5.88 -6.304650240e-05 -6.304650240e-05 5.90 -5.474861598e-05 -5.474861598e-05 5.92 -4.756759289e-05 -4.756759289e-05 5.94 -4.135001090e-05 -4.135001090e-05 5.96 -3.596389587e-05 -3.596389587e-05 5.98 -3.129568327e-05 -3.129568327e-05 6.00 -2.724761307e-05 -2.724761307e-05