# 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 = MgNiTa2 # 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 3.556645571e+02 3.556645571e+02 1.30 3.294282476e+02 3.294282476e+02 1.32 3.051477625e+02 3.051477625e+02 1.34 2.826617674e+02 2.826617674e+02 1.36 2.618274242e+02 2.618274242e+02 1.38 2.425178052e+02 2.425178052e+02 1.40 2.246188451e+02 2.246188451e+02 1.42 2.080267014e+02 2.080267014e+02 1.44 1.926454395e+02 1.926454395e+02 1.46 1.783849759e+02 1.783849759e+02 1.48 1.651595939e+02 1.651595939e+02 1.50 1.528873816e+02 1.528873816e+02 1.52 1.414906627e+02 1.414906627e+02 1.54 1.308971310e+02 1.308971310e+02 1.56 1.210411090e+02 1.210411090e+02 1.58 1.118642857e+02 1.118642857e+02 1.60 1.033156064e+02 1.033156064e+02 1.62 9.535043020e+01 9.535043020e+01 1.64 8.792931701e+01 8.792931701e+01 1.66 8.101676653e+01 8.101676653e+01 1.68 7.458014143e+01 7.458014143e+01 1.70 6.858889125e+01 6.858889125e+01 1.72 6.301408521e+01 6.301408521e+01 1.74 5.782821964e+01 5.782821964e+01 1.76 5.300524269e+01 5.300524269e+01 1.78 4.852069962e+01 4.852069962e+01 1.80 4.435367741e+01 4.435367741e+01 1.82 4.049092202e+01 4.049092202e+01 1.84 3.691323139e+01 3.691323139e+01 1.86 3.360182326e+01 3.360182326e+01 1.88 3.053902393e+01 3.053902393e+01 1.90 2.770784725e+01 2.770784725e+01 1.92 2.509190632e+01 2.509190632e+01 1.94 2.267534717e+01 2.267534717e+01 1.96 2.044271529e+01 2.044271529e+01 1.98 1.837906527e+01 1.837906527e+01 2.00 1.647017724e+01 1.647017724e+01 2.02 1.470282961e+01 1.470282961e+01 2.04 1.306505747e+01 1.306505747e+01 2.06 1.154632027e+01 1.154632027e+01 2.08 1.013752736e+01 1.013752736e+01 2.10 8.830919657e+00 8.830919657e+00 2.12 7.619849979e+00 7.619849979e+00 2.14 6.498526300e+00 6.498526300e+00 2.16 5.461771646e+00 5.461771646e+00 2.18 4.504827989e+00 4.504827989e+00 2.20 3.623211196e+00 3.623211196e+00 2.22 2.812607918e+00 2.812607918e+00 2.24 2.068806237e+00 2.068806237e+00 2.26 1.387649950e+00 1.387649950e+00 2.28 7.650081559e-01 7.650081559e-01 2.30 1.967588102e-01 1.967588102e-01 2.32 -3.212146846e-01 -3.212146846e-01 2.34 -7.929997445e-01 -7.929997445e-01 2.36 -1.222600436e+00 -1.222600436e+00 2.38 -1.613853440e+00 -1.613853440e+00 2.40 -1.970333402e+00 -1.970333402e+00 2.42 -2.295273533e+00 -2.295273533e+00 2.44 -2.591520825e+00 -2.591520825e+00 2.46 -2.861389976e+00 -2.861389976e+00 2.48 -3.106927516e+00 -3.106927516e+00 2.50 -3.330229635e+00 -3.330229635e+00 2.52 -3.533071831e+00 -3.533071831e+00 2.54 -3.716978857e+00 -3.716978857e+00 2.56 -3.883288976e+00 -3.883288976e+00 2.58 -4.033202864e+00 -4.033202864e+00 2.60 -4.167792957e+00 -4.167792957e+00 2.62 -4.287734952e+00 -4.287734952e+00 2.64 -4.393521058e+00 -4.393521058e+00 2.66 -4.485717098e+00 -4.485717098e+00 2.68 -4.564942132e+00 -4.564942132e+00 2.70 -4.631846955e+00 -4.631846955e+00 2.72 -4.687096292e+00 -4.687096292e+00 2.74 -4.731352724e+00 -4.731352724e+00 2.76 -4.765261634e+00 -4.765261634e+00 2.78 -4.789437641e+00 -4.789437641e+00 2.80 -4.804455387e+00 -4.804455387e+00 2.82 -4.810841268e+00 -4.810841268e+00 2.84 -4.809075493e+00 -4.809075493e+00 2.86 -4.799597223e+00 -4.799597223e+00 2.88 -4.782811703e+00 -4.782811703e+00 2.90 -4.759098132e+00 -4.759098132e+00 2.92 -4.728816431e+00 -4.728816431e+00 2.94 -4.692311825e+00 -4.692311825e+00 2.96 -4.649916992e+00 -4.649916992e+00 2.98 -4.601928760e+00 -4.601928760e+00 3.00 -4.548562027e+00 -4.548562027e+00 3.02 -4.490019729e+00 -4.490019729e+00 3.04 -4.426505852e+00 -4.426505852e+00 3.06 -4.358223452e+00 -4.358223452e+00 3.08 -4.285374070e+00 -4.285374070e+00 3.10 -4.208161313e+00 -4.208161313e+00 3.12 -4.126796405e+00 -4.126796405e+00 3.14 -4.041507761e+00 -4.041507761e+00 3.16 -3.952549855e+00 -3.952549855e+00 3.18 -3.860215889e+00 -3.860215889e+00 3.20 -3.764848605e+00 -3.764848605e+00 3.22 -3.666849394e+00 -3.666849394e+00 3.24 -3.566683508e+00 -3.566683508e+00 3.26 -3.464879549e+00 -3.464879549e+00 3.28 -3.362021788e+00 -3.362021788e+00 3.30 -3.258734689e+00 -3.258734689e+00 3.32 -3.155660221e+00 -3.155660221e+00 3.34 -3.053429854e+00 -3.053429854e+00 3.36 -2.952634319e+00 -2.952634319e+00 3.38 -2.853794762e+00 -2.853794762e+00 3.40 -2.757338799e+00 -2.757338799e+00 3.42 -2.663584283e+00 -2.663584283e+00 3.44 -2.572731680e+00 -2.572731680e+00 3.46 -2.484865729e+00 -2.484865729e+00 3.48 -2.399964676e+00 -2.399964676e+00 3.50 -2.317915425e+00 -2.317915425e+00 3.52 -2.238532381e+00 -2.238532381e+00 3.54 -2.161577906e+00 -2.161577906e+00 3.56 -2.086783522e+00 -2.086783522e+00 3.58 -2.013892627e+00 -2.013892627e+00 3.60 -1.942609787e+00 -1.942609787e+00 3.62 -1.872638508e+00 -1.872638508e+00 3.64 -1.803715156e+00 -1.803715156e+00 3.66 -1.735618565e+00 -1.735618565e+00 3.68 -1.668175712e+00 -1.668175712e+00 3.70 -1.601196903e+00 -1.601196903e+00 3.72 -1.534461917e+00 -1.534461917e+00 3.74 -1.467818199e+00 -1.467818199e+00 3.76 -1.401192549e+00 -1.401192549e+00 3.78 -1.334594562e+00 -1.334594562e+00 3.80 -1.268117287e+00 -1.268117287e+00 3.82 -1.201934067e+00 -1.201934067e+00 3.84 -1.136290764e+00 -1.136290764e+00 3.86 -1.071493027e+00 -1.071493027e+00 3.88 -1.007888973e+00 -1.007888973e+00 3.90 -9.458483262e-01 -9.458483262e-01 3.92 -8.857396921e-01 -8.857396921e-01 3.94 -8.279087078e-01 -8.279087078e-01 3.96 -7.726577212e-01 -7.726577212e-01 3.98 -7.202309697e-01 -7.202309697e-01 4.00 -6.708047508e-01 -6.708047508e-01 4.02 -6.244836057e-01 -6.244836057e-01 4.04 -5.813019390e-01 -5.813019390e-01 4.06 -5.412300358e-01 -5.412300358e-01 4.08 -5.041831240e-01 -5.041831240e-01 4.10 -4.700317132e-01 -4.700317132e-01 4.12 -4.386143607e-01 -4.386143607e-01 4.14 -4.097457785e-01 -4.097457785e-01 4.16 -3.832281604e-01 -3.832281604e-01 4.18 -3.588587705e-01 -3.588587705e-01 4.20 -3.364364623e-01 -3.364364623e-01 4.22 -3.157667144e-01 -3.157667144e-01 4.24 -2.966653562e-01 -2.966653562e-01 4.26 -2.789611972e-01 -2.789611972e-01 4.28 -2.624977858e-01 -2.624977858e-01 4.30 -2.471344939e-01 -2.471344939e-01 4.32 -2.327470909e-01 -2.327470909e-01 4.34 -2.192279165e-01 -2.192279165e-01 4.36 -2.064857223e-01 -2.064857223e-01 4.38 -1.944451667e-01 -1.944451667e-01 4.40 -1.830459977e-01 -1.830459977e-01 4.42 -1.722418805e-01 -1.722418805e-01 4.44 -1.619987618e-01 -1.619987618e-01 4.46 -1.522921276e-01 -1.522921276e-01 4.48 -1.431070121e-01 -1.431070121e-01 4.50 -1.344342580e-01 -1.344342580e-01 4.52 -1.262675998e-01 -1.262675998e-01 4.54 -1.186014983e-01 -1.186014983e-01 4.56 -1.114292489e-01 -1.114292489e-01 4.58 -1.047415356e-01 -1.047415356e-01 4.60 -9.852552291e-02 -9.852552291e-02 4.62 -9.276450069e-02 -9.276450069e-02 4.64 -8.743802310e-02 -8.743802310e-02 4.66 -8.252243145e-02 -8.252243145e-02 4.68 -7.799162658e-02 -7.799162658e-02 4.70 -7.381795686e-02 -7.381795686e-02 4.72 -6.997310768e-02 -6.997310768e-02 4.74 -6.642890805e-02 -6.642890805e-02 4.76 -6.315800295e-02 -6.315800295e-02 4.78 -6.013436888e-02 -6.013436888e-02 4.80 -5.733346550e-02 -5.733346550e-02 4.82 -5.473331049e-02 -5.473331049e-02 4.84 -5.231322451e-02 -5.231322451e-02 4.86 -5.005477940e-02 -5.005477940e-02 4.88 -4.794145961e-02 -4.794145961e-02 4.90 -4.595860111e-02 -4.595860111e-02 4.92 -4.409323021e-02 -4.409323021e-02 4.94 -4.233389950e-02 -4.233389950e-02 4.96 -4.067052961e-02 -4.067052961e-02 4.98 -3.909425469e-02 -3.909425469e-02 5.00 -3.759727770e-02 -3.759727770e-02 5.02 -3.617273550e-02 -3.617273550e-02 5.04 -3.481457730e-02 -3.481457730e-02 5.06 -3.351745682e-02 -3.351745682e-02 5.08 -3.227663739e-02 -3.227663739e-02 5.10 -3.108790963e-02 -3.108790963e-02 5.12 -2.994752077e-02 -2.994752077e-02 5.14 -2.885211456e-02 -2.885211456e-02 5.16 -2.779868090e-02 -2.779868090e-02 5.18 -2.678451420e-02 -2.678451420e-02 5.20 -2.580717953e-02 -2.580717953e-02 5.22 -2.486448563e-02 -2.486448563e-02 5.24 -2.395446400e-02 -2.395446400e-02 5.26 -2.307535295e-02 -2.307535295e-02 5.28 -2.222558590e-02 -2.222558590e-02 5.30 -2.140378247e-02 -2.140378247e-02 5.32 -2.060874149e-02 -2.060874149e-02 5.34 -1.983943428e-02 -1.983943428e-02 5.36 -1.909496932e-02 -1.909496932e-02 5.38 -1.837462249e-02 -1.837462249e-02 5.40 -1.767783568e-02 -1.767783568e-02 5.42 -1.700417312e-02 -1.700417312e-02 5.44 -1.635329901e-02 -1.635329901e-02 5.46 -1.572495076e-02 -1.572495076e-02 5.48 -1.511890891e-02 -1.511890891e-02 5.50 -1.453496559e-02 -1.453496559e-02 5.52 -1.397289357e-02 -1.397289357e-02 5.54 -1.343241836e-02 -1.343241836e-02 5.56 -1.291319553e-02 -1.291319553e-02 5.58 -1.241479478e-02 -1.241479478e-02 5.60 -1.193669167e-02 -1.193669167e-02 5.62 -1.147826692e-02 -1.147826692e-02 5.64 -1.103881254e-02 -1.103881254e-02 5.66 -1.061754321e-02 -1.061754321e-02 5.68 -1.021361137e-02 -1.021361137e-02 5.70 -9.826124141e-03 -9.826124141e-03 5.72 -9.454160339e-03 -9.454160339e-03 5.74 -9.096786590e-03 -9.096786590e-03 5.76 -8.753071420e-03 -8.753071420e-03 5.78 -8.422096986e-03 -8.422096986e-03 5.80 -8.102968267e-03 -8.102968267e-03 5.82 -7.794819865e-03 -7.794819865e-03 5.84 -7.496820725e-03 -7.496820725e-03 5.86 -7.208177196e-03 -7.208177196e-03 5.88 -6.928134891e-03 -6.928134891e-03 5.90 -6.655979798e-03 -6.655979798e-03 5.92 -6.391039078e-03 -6.391039078e-03 5.94 -6.132681896e-03 -6.132681896e-03 5.96 -5.880320632e-03 -5.880320632e-03 5.98 -5.633412684e-03 -5.633412684e-03 6.00 -5.391463049e-03 -5.391463049e-03