# 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 = NiPdTa2 # 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 3.127893254e+02 3.127893254e+02 1.30 2.899105477e+02 2.899105477e+02 1.32 2.687332662e+02 2.687332662e+02 1.34 2.491226589e+02 2.491226589e+02 1.36 2.309521650e+02 2.309521650e+02 1.38 2.141037143e+02 2.141037143e+02 1.40 1.984689291e+02 1.984689291e+02 1.42 1.839499470e+02 1.839499470e+02 1.44 1.704591111e+02 1.704591111e+02 1.46 1.579176436e+02 1.579176436e+02 1.48 1.462540044e+02 1.462540044e+02 1.50 1.354025487e+02 1.354025487e+02 1.52 1.253026672e+02 1.253026672e+02 1.54 1.158982979e+02 1.158982979e+02 1.56 1.071376165e+02 1.071376165e+02 1.58 9.897280343e+01 9.897280343e+01 1.60 9.135989699e+01 9.135989699e+01 1.62 8.425872662e+01 8.425872662e+01 1.64 7.763282102e+01 7.763282102e+01 1.66 7.144916615e+01 7.144916615e+01 1.68 6.567780375e+01 6.567780375e+01 1.70 6.029135570e+01 6.029135570e+01 1.72 5.526455129e+01 5.526455129e+01 1.74 5.057379860e+01 5.057379860e+01 1.76 4.619683284e+01 4.619683284e+01 1.78 4.211247992e+01 4.211247992e+01 1.80 3.830056549e+01 3.830056549e+01 1.82 3.474242474e+01 3.474242474e+01 1.84 3.142750231e+01 3.142750231e+01 1.86 2.834104784e+01 2.834104784e+01 1.88 2.546686859e+01 2.546686859e+01 1.90 2.279362084e+01 2.279362084e+01 1.92 2.031990632e+01 2.031990632e+01 1.94 1.803340751e+01 1.803340751e+01 1.96 1.592167917e+01 1.592167917e+01 1.98 1.397309176e+01 1.397309176e+01 2.00 1.217663962e+01 1.217663962e+01 2.02 1.052180063e+01 1.052180063e+01 2.04 8.998481909e+00 8.998481909e+00 2.06 7.597053060e+00 7.597053060e+00 2.08 6.308431339e+00 6.308431339e+00 2.10 5.124168661e+00 5.124168661e+00 2.12 4.036504257e+00 4.036504257e+00 2.14 3.038371572e+00 3.038371572e+00 2.16 2.123365601e+00 2.123365601e+00 2.18 1.285682521e+00 1.285682521e+00 2.20 5.200418491e-01 5.200418491e-01 2.22 -1.784019195e-01 -1.784019195e-01 2.24 -8.141531067e-01 -8.141531067e-01 2.26 -1.391468765e+00 -1.391468765e+00 2.28 -1.914445427e+00 -1.914445427e+00 2.30 -2.387088805e+00 -2.387088805e+00 2.32 -2.813354926e+00 -2.813354926e+00 2.34 -3.197152452e+00 -3.197152452e+00 2.36 -3.542302658e+00 -3.542302658e+00 2.38 -3.852465397e+00 -3.852465397e+00 2.40 -4.131052082e+00 -4.131052082e+00 2.42 -4.381152264e+00 -4.381152264e+00 2.44 -4.605494396e+00 -4.605494396e+00 2.46 -4.806446904e+00 -4.806446904e+00 2.48 -4.986036447e+00 -4.986036447e+00 2.50 -5.145800309e+00 -5.145800309e+00 2.52 -5.287430681e+00 -5.287430681e+00 2.54 -5.412512778e+00 -5.412512778e+00 2.56 -5.522404062e+00 -5.522404062e+00 2.58 -5.618276893e+00 -5.618276893e+00 2.60 -5.701155999e+00 -5.701155999e+00 2.62 -5.771951828e+00 -5.771951828e+00 2.64 -5.831430976e+00 -5.831430976e+00 2.66 -5.879961676e+00 -5.879961676e+00 2.68 -5.917839422e+00 -5.917839422e+00 2.70 -5.945433691e+00 -5.945433691e+00 2.72 -5.963164490e+00 -5.963164490e+00 2.74 -5.971481344e+00 -5.971481344e+00 2.76 -5.970844459e+00 -5.970844459e+00 2.78 -5.961708631e+00 -5.961708631e+00 2.80 -5.944511261e+00 -5.944511261e+00 2.82 -5.919666528e+00 -5.919666528e+00 2.84 -5.887563040e+00 -5.887563040e+00 2.86 -5.848569594e+00 -5.848569594e+00 2.88 -5.803042842e+00 -5.803042842e+00 2.90 -5.751333506e+00 -5.751333506e+00 2.92 -5.693789993e+00 -5.693789993e+00 2.94 -5.630760878e+00 -5.630760878e+00 2.96 -5.562819102e+00 -5.562819102e+00 2.98 -5.490333881e+00 -5.490333881e+00 3.00 -5.413461416e+00 -5.413461416e+00 3.02 -5.332289263e+00 -5.332289263e+00 3.04 -5.246900900e+00 -5.246900900e+00 3.06 -5.157391249e+00 -5.157391249e+00 3.08 -5.063864999e+00 -5.063864999e+00 3.10 -4.966438555e+00 -4.966438555e+00 3.12 -4.865245283e+00 -4.865245283e+00 3.14 -4.760455086e+00 -4.760455086e+00 3.16 -4.652294559e+00 -4.652294559e+00 3.18 -4.541030298e+00 -4.541030298e+00 3.20 -4.426976346e+00 -4.426976346e+00 3.22 -4.310503086e+00 -4.310503086e+00 3.24 -4.192042317e+00 -4.192042317e+00 3.26 -4.072086870e+00 -4.072086870e+00 3.28 -3.951183532e+00 -3.951183532e+00 3.30 -3.829918763e+00 -3.829918763e+00 3.32 -3.708897721e+00 -3.708897721e+00 3.34 -3.588718262e+00 -3.588718262e+00 3.36 -3.469942558e+00 -3.469942558e+00 3.38 -3.353069559e+00 -3.353069559e+00 3.40 -3.238511514e+00 -3.238511514e+00 3.42 -3.126577141e+00 -3.126577141e+00 3.44 -3.017462973e+00 -3.017462973e+00 3.46 -2.911253209e+00 -2.911253209e+00 3.48 -2.807927246e+00 -2.807927246e+00 3.50 -2.707373309e+00 -2.707373309e+00 3.52 -2.609406205e+00 -2.609406205e+00 3.54 -2.513787229e+00 -2.513787229e+00 3.56 -2.420244554e+00 -2.420244554e+00 3.58 -2.328492838e+00 -2.328492838e+00 3.60 -2.238251253e+00 -2.238251253e+00 3.62 -2.149259508e+00 -2.149259508e+00 3.64 -2.061291710e+00 -2.061291710e+00 3.66 -1.974168035e+00 -1.974168035e+00 3.68 -1.887764214e+00 -1.887764214e+00 3.70 -1.802018726e+00 -1.802018726e+00 3.72 -1.716937492e+00 -1.716937492e+00 3.74 -1.632595740e+00 -1.632595740e+00 3.76 -1.549136632e+00 -1.549136632e+00 3.78 -1.466766310e+00 -1.466766310e+00 3.80 -1.385745171e+00 -1.385745171e+00 3.82 -1.306375510e+00 -1.306375510e+00 3.84 -1.228986042e+00 -1.228986042e+00 3.86 -1.153914250e+00 -1.153914250e+00 3.88 -1.081487878e+00 -1.081487878e+00 3.90 -1.012007086e+00 -1.012007086e+00 3.92 -9.457288306e-01 -9.457288306e-01 3.94 -8.828547797e-01 -8.828547797e-01 3.96 -8.235236705e-01 -8.235236705e-01 3.98 -7.678084442e-01 -7.678084442e-01 4.00 -7.157179233e-01 -7.157179233e-01 4.02 -6.672023007e-01 -6.672023007e-01 4.04 -6.221613806e-01 -6.221613806e-01 4.06 -5.804543834e-01 -5.804543834e-01 4.08 -5.419101810e-01 -5.419101810e-01 4.10 -5.063370306e-01 -5.063370306e-01 4.12 -4.735311519e-01 -4.735311519e-01 4.14 -4.432837860e-01 -4.432837860e-01 4.16 -4.153866631e-01 -4.153866631e-01 4.18 -3.896359997e-01 -3.896359997e-01 4.20 -3.658352868e-01 -3.658352868e-01 4.22 -3.437971882e-01 -3.437971882e-01 4.24 -3.233448488e-01 -3.233448488e-01 4.26 -3.043128588e-01 -3.043128588e-01 4.28 -2.865480394e-01 -2.865480394e-01 4.30 -2.699101337e-01 -2.699101337e-01 4.32 -2.542724121e-01 -2.542724121e-01 4.34 -2.395221636e-01 -2.395221636e-01 4.36 -2.255610131e-01 -2.255610131e-01 4.38 -2.123049766e-01 -2.123049766e-01 4.40 -1.996841557e-01 -1.996841557e-01 4.42 -1.876420325e-01 -1.876420325e-01 4.44 -1.761343279e-01 -1.761343279e-01 4.46 -1.651273518e-01 -1.651273518e-01 4.48 -1.545963342e-01 -1.545963342e-01 4.50 -1.445229970e-01 -1.445229970e-01 4.52 -1.348938960e-01 -1.348938960e-01 4.54 -1.256980601e-01 -1.256980601e-01 4.56 -1.169253000e-01 -1.169253000e-01 4.58 -1.085650939e-01 -1.085650939e-01 4.60 -1.006060078e-01 -1.006060078e-01 4.62 -9.303563803e-02 -9.303563803e-02 4.64 -8.584098273e-02 -8.584098273e-02 4.66 -7.900909518e-02 -7.900909518e-02 4.68 -7.252784205e-02 -7.252784205e-02 4.70 -6.638659679e-02 -6.638659679e-02 4.72 -6.057672858e-02 -6.057672858e-02 4.74 -5.509179672e-02 -5.509179672e-02 4.76 -4.992741956e-02 -4.992741956e-02 4.78 -4.508083103e-02 -4.508083103e-02 4.80 -4.055020733e-02 -4.055020733e-02 4.82 -3.633386580e-02 -3.633386580e-02 4.84 -3.242943450e-02 -3.242943450e-02 4.86 -2.883312204e-02 -2.883312204e-02 4.88 -2.553913998e-02 -2.553913998e-02 4.90 -2.253935355e-02 -2.253935355e-02 4.92 -1.982317865e-02 -1.982317865e-02 4.94 -1.737765509e-02 -1.737765509e-02 4.96 -1.518745706e-02 -1.518745706e-02 4.98 -1.323625046e-02 -1.323625046e-02 5.00 -1.150663141e-02 -1.150663141e-02 5.02 -9.980500044e-03 -9.980500044e-03 5.04 -8.639581326e-03 -8.639581326e-03 5.06 -7.465875602e-03 -7.465875602e-03 5.08 -6.442023459e-03 -6.442023459e-03 5.10 -5.551580897e-03 -5.551580897e-03 5.12 -4.779209005e-03 -4.779209005e-03 5.14 -4.110787738e-03 -4.110787738e-03 5.16 -3.533466206e-03 -3.533466206e-03 5.18 -3.035662642e-03 -3.035662642e-03 5.20 -2.607026708e-03 -2.607026708e-03 5.22 -2.238375336e-03 -2.238375336e-03 5.24 -1.921611601e-03 -1.921611601e-03 5.26 -1.649634155e-03 -1.649634155e-03 5.28 -1.416243075e-03 -1.416243075e-03 5.30 -1.216046343e-03 -1.216046343e-03 5.32 -1.044369930e-03 -1.044369930e-03 5.34 -8.971733946e-04 -8.971733946e-04 5.36 -7.709720969e-04 -7.709720969e-04 5.38 -6.627665464e-04 -6.627665464e-04 5.40 -5.699789735e-04 -5.699789735e-04 5.42 -4.903969162e-04 -4.903969162e-04 5.44 -4.221234341e-04 -4.221234341e-04 5.46 -3.635334483e-04 -3.635334483e-04 5.48 -3.132356543e-04 -3.132356543e-04 5.50 -2.700394411e-04 -2.700394411e-04 5.52 -2.329262612e-04 -2.329262612e-04 5.54 -2.010249284e-04 -2.010249284e-04 5.56 -1.735903549e-04 -1.735903549e-04 5.58 -1.499852882e-04 -1.499852882e-04 5.60 -1.296646486e-04 -1.296646486e-04 5.62 -1.121621172e-04 -1.121621172e-04 5.64 -9.707866163e-05 -9.707866163e-05 5.66 -8.407272895e-05 -8.407272895e-05 5.68 -7.285186799e-05 -7.285186799e-05 5.70 -6.316557701e-05 -6.316557701e-05 5.72 -5.479919890e-05 -5.479919890e-05 5.74 -4.756871181e-05 -4.756871181e-05 5.76 -4.131628409e-05 -4.131628409e-05 5.78 -3.590648152e-05 -3.590648152e-05 5.80 -3.122303079e-05 -3.122303079e-05 5.82 -2.716605720e-05 -2.716605720e-05 5.84 -2.364972661e-05 -2.364972661e-05 5.86 -2.060023186e-05 -2.060023186e-05 5.88 -1.795407291e-05 -1.795407291e-05 5.90 -1.565658722e-05 -1.565658722e-05 5.92 -1.366069354e-05 -1.366069354e-05 5.94 -1.192581763e-05 -1.192581763e-05 5.96 -1.041697315e-05 -1.041697315e-05 5.98 -9.103975006e-06 -9.103975006e-06 6.00 -7.960765667e-06 -7.960765667e-06