# 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 = CuPt2W # 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 3.645349350e+02 3.645349350e+02 1.30 3.396037382e+02 3.396037382e+02 1.32 3.163359244e+02 3.163359244e+02 1.34 2.946128224e+02 2.946128224e+02 1.36 2.743332103e+02 2.743332103e+02 1.38 2.554076553e+02 2.554076553e+02 1.40 2.377541591e+02 2.377541591e+02 1.42 2.212940049e+02 2.212940049e+02 1.44 2.059470221e+02 2.059470221e+02 1.46 1.916303640e+02 1.916303640e+02 1.48 1.782628861e+02 1.782628861e+02 1.50 1.657700600e+02 1.657700600e+02 1.52 1.540844521e+02 1.540844521e+02 1.54 1.431430316e+02 1.431430316e+02 1.56 1.328852105e+02 1.328852105e+02 1.58 1.232528952e+02 1.232528952e+02 1.60 1.141913262e+02 1.141913262e+02 1.62 1.056497334e+02 1.056497334e+02 1.64 9.758197924e+01 9.758197924e+01 1.66 8.994757381e+01 8.994757381e+01 1.68 8.271285542e+01 8.271285542e+01 1.70 7.585169815e+01 7.585169815e+01 1.72 6.934516916e+01 6.934516916e+01 1.74 6.317993917e+01 6.317993917e+01 1.76 5.734608724e+01 5.734608724e+01 1.78 5.183508999e+01 5.183508999e+01 1.80 4.663792398e+01 4.663792398e+01 1.82 4.174578989e+01 4.174578989e+01 1.84 3.723258796e+01 3.723258796e+01 1.86 3.313485295e+01 3.313485295e+01 1.88 2.942165098e+01 2.942165098e+01 1.90 2.606201637e+01 2.606201637e+01 1.92 2.302450807e+01 2.302450807e+01 1.94 2.027740612e+01 2.027740612e+01 1.96 1.778972047e+01 1.778972047e+01 1.98 1.553258273e+01 1.553258273e+01 2.00 1.348034741e+01 1.348034741e+01 2.02 1.161100799e+01 1.161100799e+01 2.04 9.905977376e+00 9.905977376e+00 2.06 8.349521827e+00 8.349521827e+00 2.08 6.928121858e+00 6.928121858e+00 2.10 5.629913093e+00 5.629913093e+00 2.12 4.444262861e+00 4.444262861e+00 2.14 3.361493748e+00 3.361493748e+00 2.16 2.372744901e+00 2.372744901e+00 2.18 1.469938930e+00 1.469938930e+00 2.20 6.458014810e-01 6.458014810e-01 2.22 -1.061203065e-01 -1.061203065e-01 2.24 -7.914742995e-01 -7.914742995e-01 2.26 -1.415163852e+00 -1.415163852e+00 2.28 -1.981445390e+00 -1.981445390e+00 2.30 -2.494049702e+00 -2.494049702e+00 2.32 -2.956310778e+00 -2.956310778e+00 2.34 -3.371285349e+00 -3.371285349e+00 2.36 -3.741849900e+00 -3.741849900e+00 2.38 -4.070770456e+00 -4.070770456e+00 2.40 -4.360736787e+00 -4.360736787e+00 2.42 -4.614354719e+00 -4.614354719e+00 2.44 -4.834352935e+00 -4.834352935e+00 2.46 -5.023496968e+00 -5.023496968e+00 2.48 -5.184577787e+00 -5.184577787e+00 2.50 -5.320404266e+00 -5.320404266e+00 2.52 -5.433767933e+00 -5.433767933e+00 2.54 -5.527376445e+00 -5.527376445e+00 2.56 -5.603760030e+00 -5.603760030e+00 2.58 -5.665061268e+00 -5.665061268e+00 2.60 -5.713417678e+00 -5.713417678e+00 2.62 -5.752169703e+00 -5.752169703e+00 2.64 -5.781997919e+00 -5.781997919e+00 2.66 -5.803143662e+00 -5.803143662e+00 2.68 -5.815770755e+00 -5.815770755e+00 2.70 -5.820007013e+00 -5.820007013e+00 2.72 -5.815975847e+00 -5.815975847e+00 2.74 -5.803813247e+00 -5.803813247e+00 2.76 -5.783672263e+00 -5.783672263e+00 2.78 -5.755720817e+00 -5.755720817e+00 2.80 -5.720139268e+00 -5.720139268e+00 2.82 -5.677122488e+00 -5.677122488e+00 2.84 -5.626896194e+00 -5.626896194e+00 2.86 -5.569949688e+00 -5.569949688e+00 2.88 -5.506486161e+00 -5.506486161e+00 2.90 -5.436631259e+00 -5.436631259e+00 2.92 -5.360650895e+00 -5.360650895e+00 2.94 -5.278957414e+00 -5.278957414e+00 2.96 -5.192102700e+00 -5.192102700e+00 2.98 -5.100753901e+00 -5.100753901e+00 3.00 -5.005665349e+00 -5.005665349e+00 3.02 -4.907643990e+00 -4.907643990e+00 3.04 -4.807453705e+00 -4.807453705e+00 3.06 -4.705759299e+00 -4.705759299e+00 3.08 -4.603094787e+00 -4.603094787e+00 3.10 -4.499851152e+00 -4.499851152e+00 3.12 -4.396281567e+00 -4.396281567e+00 3.14 -4.292519090e+00 -4.292519090e+00 3.16 -4.188600961e+00 -4.188600961e+00 3.18 -4.084494803e+00 -4.084494803e+00 3.20 -3.980123557e+00 -3.980123557e+00 3.22 -3.875387758e+00 -3.875387758e+00 3.24 -3.770184836e+00 -3.770184836e+00 3.26 -3.664425730e+00 -3.664425730e+00 3.28 -3.558049176e+00 -3.558049176e+00 3.30 -3.451033905e+00 -3.451033905e+00 3.32 -3.343408641e+00 -3.343408641e+00 3.34 -3.235259548e+00 -3.235259548e+00 3.36 -3.126735424e+00 -3.126735424e+00 3.38 -3.018182722e+00 -3.018182722e+00 3.40 -2.910262158e+00 -2.910262158e+00 3.42 -2.803651097e+00 -2.803651097e+00 3.44 -2.698987683e+00 -2.698987683e+00 3.46 -2.596852269e+00 -2.596852269e+00 3.48 -2.497749334e+00 -2.497749334e+00 3.50 -2.402092430e+00 -2.402092430e+00 3.52 -2.310194149e+00 -2.310194149e+00 3.54 -2.222262257e+00 -2.222262257e+00 3.56 -2.138402200e+00 -2.138402200e+00 3.58 -2.058625330e+00 -2.058625330e+00 3.60 -1.982861531e+00 -1.982861531e+00 3.62 -1.910974606e+00 -1.910974606e+00 3.64 -1.842778776e+00 -1.842778776e+00 3.66 -1.778054854e+00 -1.778054854e+00 3.68 -1.716565023e+00 -1.716565023e+00 3.70 -1.658065543e+00 -1.658065543e+00 3.72 -1.602317070e+00 -1.602317070e+00 3.74 -1.549092500e+00 -1.549092500e+00 3.76 -1.498182460e+00 -1.498182460e+00 3.78 -1.449398599e+00 -1.449398599e+00 3.80 -1.402574927e+00 -1.402574927e+00 3.82 -1.357567437e+00 -1.357567437e+00 3.84 -1.314252339e+00 -1.314252339e+00 3.86 -1.272523262e+00 -1.272523262e+00 3.88 -1.232287862e+00 -1.232287862e+00 3.90 -1.193464322e+00 -1.193464322e+00 3.92 -1.155978168e+00 -1.155978168e+00 3.94 -1.119759786e+00 -1.119759786e+00 3.96 -1.084742833e+00 -1.084742833e+00 3.98 -1.050863601e+00 -1.050863601e+00 4.00 -1.018061219e+00 -1.018061219e+00 4.02 -9.862784787e-01 -9.862784787e-01 4.04 -9.554629979e-01 -9.554629979e-01 4.06 -9.255684306e-01 -9.255684306e-01 4.08 -8.965554600e-01 -8.965554600e-01 4.10 -8.683923456e-01 -8.683923456e-01 4.12 -8.410549114e-01 -8.410549114e-01 4.14 -8.145257917e-01 -8.145257917e-01 4.16 -7.887930950e-01 -7.887930950e-01 4.18 -7.638484812e-01 -7.638484812e-01 4.20 -7.396849001e-01 -7.396849001e-01 4.22 -7.162942470e-01 -7.162942470e-01 4.24 -6.936652213e-01 -6.936652213e-01 4.26 -6.717816420e-01 -6.717816420e-01 4.28 -6.506213888e-01 -6.506213888e-01 4.30 -6.301560287e-01 -6.301560287e-01 4.32 -6.103510686e-01 -6.103510686e-01 4.34 -5.911666894e-01 -5.911666894e-01 4.36 -5.725587674e-01 -5.725587674e-01 4.38 -5.544799887e-01 -5.544799887e-01 4.40 -5.368808979e-01 -5.368808979e-01 4.42 -5.197107804e-01 -5.197107804e-01 4.44 -5.029183379e-01 -5.029183379e-01 4.46 -4.864521726e-01 -4.864521726e-01 4.48 -4.702611361e-01 -4.702611361e-01 4.50 -4.542946186e-01 -4.542946186e-01 4.52 -4.385028652e-01 -4.385028652e-01 4.54 -4.228373950e-01 -4.228373950e-01 4.56 -4.072515887e-01 -4.072515887e-01 4.58 -3.917014815e-01 -3.917014815e-01 4.60 -3.761468174e-01 -3.761468174e-01 4.62 -3.605523303e-01 -3.605523303e-01 4.64 -3.448892106e-01 -3.448892106e-01 4.66 -3.291368268e-01 -3.291368268e-01 4.68 -3.132858305e-01 -3.132858305e-01 4.70 -2.973362292e-01 -2.973362292e-01 4.72 -2.813007327e-01 -2.813007327e-01 4.74 -2.652068102e-01 -2.652068102e-01 4.76 -2.490969936e-01 -2.490969936e-01 4.78 -2.330285394e-01 -2.330285394e-01 4.80 -2.170722675e-01 -2.170722675e-01 4.82 -2.013104835e-01 -2.013104835e-01 4.84 -1.858339798e-01 -1.858339798e-01 4.86 -1.707382643e-01 -1.707382643e-01 4.88 -1.561192518e-01 -1.561192518e-01 4.90 -1.420687639e-01 -1.420687639e-01 4.92 -1.286702242e-01 -1.286702242e-01 4.94 -1.159949248e-01 -1.159949248e-01 4.96 -1.040991748e-01 -1.040991748e-01 4.98 -9.302252612e-02 -9.302252612e-02 5.00 -8.278714620e-02 -8.278714620e-02 5.02 -7.339826932e-02 -7.339826932e-02 5.04 -6.484556008e-02 -6.484556008e-02 5.06 -5.710515156e-02 -5.710515156e-02 5.08 -5.014209707e-02 -5.014209707e-02 5.10 -4.391298603e-02 -4.391298603e-02 5.12 -3.836851242e-02 -3.836851242e-02 5.14 -3.345583721e-02 -3.345583721e-02 5.16 -2.912064222e-02 -2.912064222e-02 5.18 -2.530882393e-02 -2.530882393e-02 5.20 -2.196781467e-02 -2.196781467e-02 5.22 -1.904755744e-02 -1.904755744e-02 5.24 -1.650116755e-02 -1.650116755e-02 5.26 -1.428523031e-02 -1.428523031e-02 5.28 -1.235987142e-02 -1.235987142e-02 5.30 -1.068959803e-02 -1.068959803e-02 5.32 -9.242508081e-03 -9.242508081e-03 5.34 -7.990093401e-03 -7.990093401e-03 5.36 -6.907057104e-03 -6.907057104e-03 5.38 -5.971081183e-03 -5.971081183e-03 5.40 -5.162569317e-03 -5.162569317e-03 5.42 -4.464382552e-03 -4.464382552e-03 5.44 -3.861579801e-03 -3.861579801e-03 5.46 -3.341170875e-03 -3.341170875e-03 5.48 -2.891886610e-03 -2.891886610e-03 5.50 -2.503968453e-03 -2.503968453e-03 5.52 -2.168978304e-03 -2.168978304e-03 5.54 -1.879628388e-03 -1.879628388e-03 5.56 -1.629630254e-03 -1.629630254e-03 5.58 -1.413561616e-03 -1.413561616e-03 5.60 -1.226749538e-03 -1.226749538e-03 5.62 -1.065168395e-03 -1.065168395e-03 5.64 -9.253510525e-04 -9.253510525e-04 5.66 -8.043117670e-04 -8.043117670e-04 5.68 -6.994794268e-04 -6.994794268e-04 5.70 -6.086398471e-04 -6.086398471e-04 5.72 -5.298859745e-04 -5.298859745e-04 5.74 -4.615749679e-04 -4.615749679e-04 5.76 -4.022912429e-04 -4.022912429e-04 5.78 -3.508146753e-04 -3.508146753e-04 5.80 -3.060932607e-04 -3.060932607e-04 5.82 -2.672196138e-04 -2.672196138e-04 5.84 -2.334107748e-04 -2.334107748e-04 5.86 -2.039908613e-04 -2.039908613e-04 5.88 -1.783761632e-04 -1.783761632e-04 5.90 -1.560623393e-04 -1.560623393e-04 5.92 -1.366134160e-04 -1.366134160e-04 5.94 -1.196523337e-04 -1.196523337e-04 5.96 -1.048528216e-04 -1.048528216e-04 5.98 -9.193241199e-05 -9.193241199e-05 6.00 -8.064643267e-05 -8.064643267e-05