# 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 = Fe2MgZr # 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 3.157300149e+02 3.157300149e+02 1.30 2.906398886e+02 2.906398886e+02 1.32 2.675272459e+02 2.675272459e+02 1.34 2.462227676e+02 2.462227676e+02 1.36 2.265750256e+02 2.265750256e+02 1.38 2.084488984e+02 2.084488984e+02 1.40 1.917234573e+02 1.917234573e+02 1.42 1.762893874e+02 1.762893874e+02 1.44 1.620469501e+02 1.620469501e+02 1.46 1.489050772e+02 1.489050772e+02 1.48 1.367809605e+02 1.367809605e+02 1.50 1.255990587e+02 1.255990587e+02 1.52 1.152894880e+02 1.152894880e+02 1.54 1.057865218e+02 1.057865218e+02 1.56 9.702794567e+01 9.702794567e+01 1.58 8.895523063e+01 8.895523063e+01 1.60 8.151387188e+01 8.151387188e+01 1.62 7.465341588e+01 7.465341588e+01 1.64 6.832723316e+01 6.832723316e+01 1.66 6.249227222e+01 6.249227222e+01 1.68 5.710890999e+01 5.710890999e+01 1.70 5.214094391e+01 5.214094391e+01 1.72 4.755547596e+01 4.755547596e+01 1.74 4.332322487e+01 4.332322487e+01 1.76 3.941737917e+01 3.941737917e+01 1.78 3.581302216e+01 3.581302216e+01 1.80 3.248716624e+01 3.248716624e+01 1.82 2.941876825e+01 2.941876825e+01 1.84 2.658833247e+01 2.658833247e+01 1.86 2.397770845e+01 2.397770845e+01 1.88 2.157010595e+01 2.157010595e+01 1.90 1.935013553e+01 1.935013553e+01 1.92 1.730374244e+01 1.730374244e+01 1.94 1.541802917e+01 1.541802917e+01 1.96 1.368101301e+01 1.368101301e+01 1.98 1.208146477e+01 1.208146477e+01 2.00 1.060883705e+01 1.060883705e+01 2.02 9.253254317e+00 9.253254317e+00 2.04 8.005534146e+00 8.005534146e+00 2.06 6.857205367e+00 6.857205367e+00 2.08 5.800495540e+00 5.800495540e+00 2.10 4.828303829e+00 4.828303829e+00 2.12 3.934159546e+00 3.934159546e+00 2.14 3.112176157e+00 3.112176157e+00 2.16 2.357014509e+00 2.357014509e+00 2.18 1.663823946e+00 1.663823946e+00 2.20 1.028174828e+00 1.028174828e+00 2.22 4.459718768e-01 4.459718768e-01 2.24 -8.660785264e-02 -8.660785264e-02 2.26 -5.731436772e-01 -5.731436772e-01 2.28 -1.016987003e+00 -1.016987003e+00 2.30 -1.421230918e+00 -1.421230918e+00 2.32 -1.788739440e+00 -1.788739440e+00 2.34 -2.122135362e+00 -2.122135362e+00 2.36 -2.423845339e+00 -2.423845339e+00 2.38 -2.696128650e+00 -2.696128650e+00 2.40 -2.941114537e+00 -2.941114537e+00 2.42 -3.160901457e+00 -3.160901457e+00 2.44 -3.357365081e+00 -3.357365081e+00 2.46 -3.532279563e+00 -3.532279563e+00 2.48 -3.687365386e+00 -3.687365386e+00 2.50 -3.824269240e+00 -3.824269240e+00 2.52 -3.944541741e+00 -3.944541741e+00 2.54 -4.049617151e+00 -4.049617151e+00 2.56 -4.140694784e+00 -4.140694784e+00 2.58 -4.218716024e+00 -4.218716024e+00 2.60 -4.284550605e+00 -4.284550605e+00 2.62 -4.339011602e+00 -4.339011602e+00 2.64 -4.382870062e+00 -4.382870062e+00 2.66 -4.416845833e+00 -4.416845833e+00 2.68 -4.441623617e+00 -4.441623617e+00 2.70 -4.457853032e+00 -4.457853032e+00 2.72 -4.466150245e+00 -4.466150245e+00 2.74 -4.467098293e+00 -4.467098293e+00 2.76 -4.461246248e+00 -4.461246248e+00 2.78 -4.449105199e+00 -4.449105199e+00 2.80 -4.431157158e+00 -4.431157158e+00 2.82 -4.407844343e+00 -4.407844343e+00 2.84 -4.379569937e+00 -4.379569937e+00 2.86 -4.346699143e+00 -4.346699143e+00 2.88 -4.309574248e+00 -4.309574248e+00 2.90 -4.268518835e+00 -4.268518835e+00 2.92 -4.223841320e+00 -4.223841320e+00 2.94 -4.175837394e+00 -4.175837394e+00 2.96 -4.124791318e+00 -4.124791318e+00 2.98 -4.070961598e+00 -4.070961598e+00 3.00 -4.014450376e+00 -4.014450376e+00 3.02 -3.955305201e+00 -3.955305201e+00 3.04 -3.893613174e+00 -3.893613174e+00 3.06 -3.829500362e+00 -3.829500362e+00 3.08 -3.763108304e+00 -3.763108304e+00 3.10 -3.694599807e+00 -3.694599807e+00 3.12 -3.624151770e+00 -3.624151770e+00 3.14 -3.551964313e+00 -3.551964313e+00 3.16 -3.478248176e+00 -3.478248176e+00 3.18 -3.403237180e+00 -3.403237180e+00 3.20 -3.327187740e+00 -3.327187740e+00 3.22 -3.250380575e+00 -3.250380575e+00 3.24 -3.173121198e+00 -3.173121198e+00 3.26 -3.095741772e+00 -3.095741772e+00 3.28 -3.018617036e+00 -3.018617036e+00 3.30 -2.942070712e+00 -2.942070712e+00 3.32 -2.866418891e+00 -2.866418891e+00 3.34 -2.791970549e+00 -2.791970549e+00 3.36 -2.719008896e+00 -2.719008896e+00 3.38 -2.647773726e+00 -2.647773726e+00 3.40 -2.578413197e+00 -2.578413197e+00 3.42 -2.510988970e+00 -2.510988970e+00 3.44 -2.445523755e+00 -2.445523755e+00 3.46 -2.382010605e+00 -2.382010605e+00 3.48 -2.320414078e+00 -2.320414078e+00 3.50 -2.260675347e+00 -2.260675347e+00 3.52 -2.202718152e+00 -2.202718152e+00 3.54 -2.146454627e+00 -2.146454627e+00 3.56 -2.091790442e+00 -2.091790442e+00 3.58 -2.038629009e+00 -2.038629009e+00 3.60 -1.986874739e+00 -1.986874739e+00 3.62 -1.936435442e+00 -1.936435442e+00 3.64 -1.887224051e+00 -1.887224051e+00 3.66 -1.839159856e+00 -1.839159856e+00 3.68 -1.792169446e+00 -1.792169446e+00 3.70 -1.746187525e+00 -1.746187525e+00 3.72 -1.701157727e+00 -1.701157727e+00 3.74 -1.657033488e+00 -1.657033488e+00 3.76 -1.613778961e+00 -1.613778961e+00 3.78 -1.571369850e+00 -1.571369850e+00 3.80 -1.529793942e+00 -1.529793942e+00 3.82 -1.489051059e+00 -1.489051059e+00 3.84 -1.449152121e+00 -1.449152121e+00 3.86 -1.410117117e+00 -1.410117117e+00 3.88 -1.371971978e+00 -1.371971978e+00 3.90 -1.334744611e+00 -1.334744611e+00 3.92 -1.298459058e+00 -1.298459058e+00 3.94 -1.263138030e+00 -1.263138030e+00 3.96 -1.228789720e+00 -1.228789720e+00 3.98 -1.195413444e+00 -1.195413444e+00 4.00 -1.162997643e+00 -1.162997643e+00 4.02 -1.131521100e+00 -1.131521100e+00 4.04 -1.100955000e+00 -1.100955000e+00 4.06 -1.071265384e+00 -1.071265384e+00 4.08 -1.042415554e+00 -1.042415554e+00 4.10 -1.014363203e+00 -1.014363203e+00 4.12 -9.870827783e-01 -9.870827783e-01 4.14 -9.605338468e-01 -9.605338468e-01 4.16 -9.346847949e-01 -9.346847949e-01 4.18 -9.095069829e-01 -9.095069829e-01 4.20 -8.849747552e-01 -8.849747552e-01 4.22 -8.610652685e-01 -8.610652685e-01 4.24 -8.377582114e-01 -8.377582114e-01 4.26 -8.150354727e-01 -8.150354727e-01 4.28 -7.928807984e-01 -7.928807984e-01 4.30 -7.712794634e-01 -7.712794634e-01 4.32 -7.502179744e-01 -7.502179744e-01 4.34 -7.296838129e-01 -7.296838129e-01 4.36 -7.096652178e-01 -7.096652178e-01 4.38 -6.901510104e-01 -6.901510104e-01 4.40 -6.711304545e-01 -6.711304545e-01 4.42 -6.525931487e-01 -6.525931487e-01 4.44 -6.345289459e-01 -6.345289459e-01 4.46 -6.169278942e-01 -6.169278942e-01 4.48 -5.997801950e-01 -5.997801950e-01 4.50 -5.830761746e-01 -5.830761746e-01 4.52 -5.668062655e-01 -5.668062655e-01 4.54 -5.509609949e-01 -5.509609949e-01 4.56 -5.355309792e-01 -5.355309792e-01 4.58 -5.205069206e-01 -5.205069206e-01 4.60 -5.058796073e-01 -5.058796073e-01 4.62 -4.916399139e-01 -4.916399139e-01 4.64 -4.777788031e-01 -4.777788031e-01 4.66 -4.642873272e-01 -4.642873272e-01 4.68 -4.511566294e-01 -4.511566294e-01 4.70 -4.383779449e-01 -4.383779449e-01 4.72 -4.259426005e-01 -4.259426005e-01 4.74 -4.138420145e-01 -4.138420145e-01 4.76 -4.020676950e-01 -4.020676950e-01 4.78 -3.906112378e-01 -3.906112378e-01 4.80 -3.794609634e-01 -3.794609634e-01 4.82 -3.686159245e-01 -3.686159245e-01 4.84 -3.580639158e-01 -3.580639158e-01 4.86 -3.477968379e-01 -3.477968379e-01 4.88 -3.378066795e-01 -3.378066795e-01 4.90 -3.280854839e-01 -3.280854839e-01 4.92 -3.186253406e-01 -3.186253406e-01 4.94 -3.094183779e-01 -3.094183779e-01 4.96 -3.004567558e-01 -3.004567558e-01 4.98 -2.917326602e-01 -2.917326602e-01 5.00 -2.832382969e-01 -2.832382969e-01 5.02 -2.749658878e-01 -2.749658878e-01 5.04 -2.669076698e-01 -2.669076698e-01 5.06 -2.590558967e-01 -2.590558967e-01 5.08 -2.514028463e-01 -2.514028463e-01 5.10 -2.439408330e-01 -2.439408330e-01 5.12 -2.366622296e-01 -2.366622296e-01 5.14 -2.295594966e-01 -2.295594966e-01 5.16 -2.226252254e-01 -2.226252254e-01 5.18 -2.158521931e-01 -2.158521931e-01 5.20 -2.092334335e-01 -2.092334335e-01 5.22 -2.027623235e-01 -2.027623235e-01 5.24 -1.964326865e-01 -1.964326865e-01 5.26 -1.902389100e-01 -1.902389100e-01 5.28 -1.841760756e-01 -1.841760756e-01 5.30 -1.782400946e-01 -1.782400946e-01 5.32 -1.724278416e-01 -1.724278416e-01 5.34 -1.667372742e-01 -1.667372742e-01 5.36 -1.611675250e-01 -1.611675250e-01 5.38 -1.557189504e-01 -1.557189504e-01 5.40 -1.503931216e-01 -1.503931216e-01 5.42 -1.451927439e-01 -1.451927439e-01 5.44 -1.401214975e-01 -1.401214975e-01 5.46 -1.351838018e-01 -1.351838018e-01 5.48 -1.303845016e-01 -1.303845016e-01 5.50 -1.257285072e-01 -1.257285072e-01 5.52 -1.212204165e-01 -1.212204165e-01 5.54 -1.168641411e-01 -1.168641411e-01 5.56 -1.126625747e-01 -1.126625747e-01 5.58 -1.086173316e-01 -1.086173316e-01 5.60 -1.047281243e-01 -1.047281243e-01 5.62 -1.009933723e-01 -1.009933723e-01 5.64 -9.741065395e-02 -9.741065395e-02 5.66 -9.397600612e-02 -9.397600612e-02 5.68 -9.068412581e-02 -9.068412581e-02 5.70 -8.752861473e-02 -8.752861473e-02 5.72 -8.450223864e-02 -8.450223864e-02 5.74 -8.159718038e-02 -8.159718038e-02 5.76 -7.880527087e-02 -7.880527087e-02 5.78 -7.611818831e-02 -7.611818831e-02 5.80 -7.352762135e-02 -7.352762135e-02 5.82 -7.102539605e-02 -7.102539605e-02 5.84 -6.860356971e-02 -6.860356971e-02 5.86 -6.625449645e-02 -6.625449645e-02 5.88 -6.397087049e-02 -6.397087049e-02 5.90 -6.174575317e-02 -6.174575317e-02 5.92 -5.957258958e-02 -5.957258958e-02 5.94 -5.744522012e-02 -5.744522012e-02 5.96 -5.535789160e-02 -5.535789160e-02 5.98 -5.330527157e-02 -5.330527157e-02 6.00 -5.128246902e-02 -5.128246902e-02