# 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 = AgPtZr2 # 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 4.284922271e+02 4.284922271e+02 1.30 4.002286879e+02 4.002286879e+02 1.32 3.739044497e+02 3.739044497e+02 1.34 3.493736308e+02 3.493736308e+02 1.36 3.265042752e+02 3.265042752e+02 1.38 3.051732553e+02 3.051732553e+02 1.40 2.852634406e+02 2.852634406e+02 1.42 2.666652032e+02 2.666652032e+02 1.44 2.492794586e+02 2.492794586e+02 1.46 2.330182515e+02 2.330182515e+02 1.48 2.178027805e+02 2.178027805e+02 1.50 2.035614350e+02 2.035614350e+02 1.52 1.902287716e+02 1.902287716e+02 1.54 1.777442906e+02 1.777442906e+02 1.56 1.660510589e+02 1.660510589e+02 1.58 1.550943052e+02 1.550943052e+02 1.60 1.448209780e+02 1.448209780e+02 1.62 1.351802388e+02 1.351802388e+02 1.64 1.261247581e+02 1.261247581e+02 1.66 1.176118559e+02 1.176118559e+02 1.68 1.096042158e+02 1.096042158e+02 1.70 1.020697714e+02 1.020697714e+02 1.72 9.498072803e+01 9.498072803e+01 1.74 8.831195543e+01 8.831195543e+01 1.76 8.203939986e+01 8.203939986e+01 1.78 7.613915894e+01 7.613915894e+01 1.80 7.058755178e+01 7.058755178e+01 1.82 6.536167688e+01 6.536167688e+01 1.84 6.044020413e+01 6.044020413e+01 1.86 5.580376003e+01 5.580376003e+01 1.88 5.143477444e+01 5.143477444e+01 1.90 4.731699341e+01 4.731699341e+01 1.92 4.343523412e+01 4.343523412e+01 1.94 3.977580076e+01 3.977580076e+01 1.96 3.632515347e+01 3.632515347e+01 1.98 3.307415490e+01 3.307415490e+01 2.00 3.004708602e+01 3.004708602e+01 2.02 2.723814861e+01 2.723814861e+01 2.04 2.463200166e+01 2.463200166e+01 2.06 2.221459709e+01 2.221459709e+01 2.08 1.997306530e+01 1.997306530e+01 2.10 1.789559982e+01 1.789559982e+01 2.12 1.597122367e+01 1.597122367e+01 2.14 1.418958449e+01 1.418958449e+01 2.16 1.254077864e+01 1.254077864e+01 2.18 1.101528965e+01 1.101528965e+01 2.20 9.604056293e+00 9.604056293e+00 2.22 8.298565806e+00 8.298565806e+00 2.24 7.090942546e+00 7.090942546e+00 2.26 5.973995882e+00 5.973995882e+00 2.28 4.941211053e+00 4.941211053e+00 2.30 3.986736043e+00 3.986736043e+00 2.32 3.105311221e+00 3.105311221e+00 2.34 2.292165936e+00 2.292165936e+00 2.36 1.542933629e+00 1.542933629e+00 2.38 8.535554194e-01 8.535554194e-01 2.40 2.202057952e-01 2.202057952e-01 2.42 -3.607674323e-01 -3.607674323e-01 2.44 -8.928684288e-01 -8.928684288e-01 2.46 -1.379475188e+00 -1.379475188e+00 2.48 -1.823840511e+00 -1.823840511e+00 2.50 -2.229088652e+00 -2.229088652e+00 2.52 -2.598209761e+00 -2.598209761e+00 2.54 -2.934050179e+00 -2.934050179e+00 2.56 -3.239293973e+00 -3.239293973e+00 2.58 -3.516435860e+00 -3.516435860e+00 2.60 -3.767753865e+00 -3.767753865e+00 2.62 -3.995291610e+00 -3.995291610e+00 2.64 -4.200868002e+00 -4.200868002e+00 2.66 -4.386085368e+00 -4.386085368e+00 2.68 -4.552368048e+00 -4.552368048e+00 2.70 -4.700993320e+00 -4.700993320e+00 2.72 -4.833121187e+00 -4.833121187e+00 2.74 -4.949844496e+00 -4.949844496e+00 2.76 -5.052243857e+00 -5.052243857e+00 2.78 -5.141141038e+00 -5.141141038e+00 2.80 -5.217305031e+00 -5.217305031e+00 2.82 -5.281459892e+00 -5.281459892e+00 2.84 -5.334684543e+00 -5.334684543e+00 2.86 -5.378427736e+00 -5.378427736e+00 2.88 -5.413113116e+00 -5.413113116e+00 2.90 -5.439141889e+00 -5.439141889e+00 2.92 -5.456924139e+00 -5.456924139e+00 2.94 -5.466740406e+00 -5.466740406e+00 2.96 -5.468854146e+00 -5.468854146e+00 2.98 -5.463601560e+00 -5.463601560e+00 3.00 -5.451374792e+00 -5.451374792e+00 3.02 -5.432600930e+00 -5.432600930e+00 3.04 -5.407716802e+00 -5.407716802e+00 3.06 -5.377165797e+00 -5.377165797e+00 3.08 -5.341359268e+00 -5.341359268e+00 3.10 -5.300687207e+00 -5.300687207e+00 3.12 -5.255508472e+00 -5.255508472e+00 3.14 -5.206169618e+00 -5.206169618e+00 3.16 -5.152984965e+00 -5.152984965e+00 3.18 -5.096260172e+00 -5.096260172e+00 3.20 -5.036292473e+00 -5.036292473e+00 3.22 -4.973375125e+00 -4.973375125e+00 3.24 -4.907801430e+00 -4.907801430e+00 3.26 -4.839868228e+00 -4.839868228e+00 3.28 -4.769877929e+00 -4.769877929e+00 3.30 -4.698137710e+00 -4.698137710e+00 3.32 -4.624954769e+00 -4.624954769e+00 3.34 -4.550627837e+00 -4.550627837e+00 3.36 -4.475436680e+00 -4.475436680e+00 3.38 -4.399632330e+00 -4.399632330e+00 3.40 -4.323451869e+00 -4.323451869e+00 3.42 -4.247133641e+00 -4.247133641e+00 3.44 -4.170766664e+00 -4.170766664e+00 3.46 -4.094415415e+00 -4.094415415e+00 3.48 -4.018132872e+00 -4.018132872e+00 3.50 -3.941964514e+00 -3.941964514e+00 3.52 -3.865951284e+00 -3.865951284e+00 3.54 -3.790131230e+00 -3.790131230e+00 3.56 -3.714539966e+00 -3.714539966e+00 3.58 -3.639210282e+00 -3.639210282e+00 3.60 -3.564171456e+00 -3.564171456e+00 3.62 -3.489450708e+00 -3.489450708e+00 3.64 -3.415071525e+00 -3.415071525e+00 3.66 -3.341050859e+00 -3.341050859e+00 3.68 -3.267399488e+00 -3.267399488e+00 3.70 -3.194123174e+00 -3.194123174e+00 3.72 -3.121224634e+00 -3.121224634e+00 3.74 -3.048706291e+00 -3.048706291e+00 3.76 -2.976573637e+00 -2.976573637e+00 3.78 -2.904838904e+00 -2.904838904e+00 3.80 -2.833530761e+00 -2.833530761e+00 3.82 -2.762718676e+00 -2.762718676e+00 3.84 -2.692488693e+00 -2.692488693e+00 3.86 -2.622933615e+00 -2.622933615e+00 3.88 -2.554150934e+00 -2.554150934e+00 3.90 -2.486238768e+00 -2.486238768e+00 3.92 -2.419287327e+00 -2.419287327e+00 3.94 -2.353387008e+00 -2.353387008e+00 3.96 -2.288602418e+00 -2.288602418e+00 3.98 -2.224984756e+00 -2.224984756e+00 4.00 -2.162567232e+00 -2.162567232e+00 4.02 -2.101366617e+00 -2.101366617e+00 4.04 -2.041386387e+00 -2.041386387e+00 4.06 -1.982620814e+00 -1.982620814e+00 4.08 -1.925059314e+00 -1.925059314e+00 4.10 -1.868683323e+00 -1.868683323e+00 4.12 -1.813499752e+00 -1.813499752e+00 4.14 -1.759495843e+00 -1.759495843e+00 4.16 -1.706674009e+00 -1.706674009e+00 4.18 -1.655043115e+00 -1.655043115e+00 4.20 -1.604617655e+00 -1.604617655e+00 4.22 -1.555416049e+00 -1.555416049e+00 4.24 -1.507458311e+00 -1.507458311e+00 4.26 -1.460763390e+00 -1.460763390e+00 4.28 -1.415346522e+00 -1.415346522e+00 4.30 -1.371216876e+00 -1.371216876e+00 4.32 -1.328375745e+00 -1.328375745e+00 4.34 -1.286815392e+00 -1.286815392e+00 4.36 -1.246518602e+00 -1.246518602e+00 4.38 -1.207458855e+00 -1.207458855e+00 4.40 -1.169601018e+00 -1.169601018e+00 4.42 -1.132902410e+00 -1.132902410e+00 4.44 -1.097314074e+00 -1.097314074e+00 4.46 -1.062782157e+00 -1.062782157e+00 4.48 -1.029249279e+00 -1.029249279e+00 4.50 -9.966558385e-01 -9.966558385e-01 4.52 -9.649412169e-01 -9.649412169e-01 4.54 -9.340448805e-01 -9.340448805e-01 4.56 -9.039073901e-01 -9.039073901e-01 4.58 -8.744713486e-01 -8.744713486e-01 4.60 -8.456823204e-01 -8.456823204e-01 4.62 -8.174897513e-01 -8.174897513e-01 4.64 -7.898479119e-01 -7.898479119e-01 4.66 -7.627168697e-01 -7.627168697e-01 4.68 -7.360634717e-01 -7.360634717e-01 4.70 -7.098622986e-01 -7.098622986e-01 4.72 -6.840965223e-01 -6.840965223e-01 4.74 -6.587585795e-01 -6.587585795e-01 4.76 -6.338505601e-01 -6.338505601e-01 4.78 -6.093842074e-01 -6.093842074e-01 4.80 -5.853744146e-01 -5.853744146e-01 4.82 -5.618633698e-01 -5.618633698e-01 4.84 -5.388796309e-01 -5.388796309e-01 4.86 -5.164636936e-01 -5.164636936e-01 4.88 -4.946584142e-01 -4.946584142e-01 4.90 -4.735065204e-01 -4.735065204e-01 4.92 -4.530481474e-01 -4.530481474e-01 4.94 -4.333185945e-01 -4.333185945e-01 4.96 -4.143464676e-01 -4.143464676e-01 4.98 -3.961523199e-01 -3.961523199e-01 5.00 -3.787478448e-01 -3.787478448e-01 5.02 -3.621356118e-01 -3.621356118e-01 5.04 -3.463092904e-01 -3.463092904e-01 5.06 -3.312542723e-01 -3.312542723e-01 5.08 -3.169485902e-01 -3.169485902e-01 5.10 -3.033640312e-01 -3.033640312e-01 5.12 -2.904673532e-01 -2.904673532e-01 5.14 -2.782215302e-01 -2.782215302e-01 5.16 -2.665869698e-01 -2.665869698e-01 5.18 -2.555226627e-01 -2.555226627e-01 5.20 -2.449872385e-01 -2.449872385e-01 5.22 -2.349399148e-01 -2.349399148e-01 5.24 -2.253413328e-01 -2.253413328e-01 5.26 -2.161542807e-01 -2.161542807e-01 5.28 -2.073443065e-01 -2.073443065e-01 5.30 -1.988802241e-01 -1.988802241e-01 5.32 -1.907345120e-01 -1.907345120e-01 5.34 -1.828836008e-01 -1.828836008e-01 5.36 -1.753080432e-01 -1.753080432e-01 5.38 -1.679925517e-01 -1.679925517e-01 5.40 -1.609258940e-01 -1.609258940e-01 5.42 -1.541006342e-01 -1.541006342e-01 5.44 -1.475127160e-01 -1.475127160e-01 5.46 -1.411608983e-01 -1.411608983e-01 5.48 -1.350460639e-01 -1.350460639e-01 5.50 -1.291704420e-01 -1.291704420e-01 5.52 -1.235367951e-01 -1.235367951e-01 5.54 -1.181476324e-01 -1.181476324e-01 5.56 -1.130045083e-01 -1.130045083e-01 5.58 -1.081074560e-01 -1.081074560e-01 5.60 -1.034545615e-01 -1.034545615e-01 5.62 -9.904146626e-02 -9.904146626e-02 5.64 -9.486214726e-02 -9.486214726e-02 5.66 -9.090863866e-02 -9.090863866e-02 5.68 -8.717112589e-02 -8.717112589e-02 5.70 -8.363830130e-02 -8.363830130e-02 5.72 -8.029775519e-02 -8.029775519e-02 5.74 -7.713636596e-02 -7.713636596e-02 5.76 -7.414066138e-02 -7.414066138e-02 5.78 -7.129713296e-02 -7.129713296e-02 5.80 -6.859249372e-02 -6.859249372e-02 5.82 -6.601387758e-02 -6.601387758e-02 5.84 -6.354898350e-02 -6.354898350e-02 5.86 -6.118617146e-02 -6.118617146e-02 5.88 -5.891451874e-02 -5.891451874e-02 5.90 -5.672384602e-02 -5.672384602e-02 5.92 -5.460472224e-02 -5.460472224e-02 5.94 -5.254845624e-02 -5.254845624e-02 5.96 -5.054708247e-02 -5.054708247e-02 5.98 -4.859334626e-02 -4.859334626e-02 6.00 -4.668069336e-02 -4.668069336e-02