# 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 = AlMgMo2 # 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 2.821000318e+02 2.821000318e+02 1.30 2.616836659e+02 2.616836659e+02 1.32 2.427842723e+02 2.427842723e+02 1.34 2.252738210e+02 2.252738210e+02 1.36 2.090352387e+02 2.090352387e+02 1.38 1.939629970e+02 1.939629970e+02 1.40 1.799626151e+02 1.799626151e+02 1.42 1.669491815e+02 1.669491815e+02 1.44 1.548455952e+02 1.548455952e+02 1.46 1.435813831e+02 1.435813831e+02 1.48 1.330925553e+02 1.330925553e+02 1.50 1.233219997e+02 1.233219997e+02 1.52 1.142194185e+02 1.142194185e+02 1.54 1.057403975e+02 1.057403975e+02 1.56 9.784502589e+01 9.784502589e+01 1.58 9.049661467e+01 9.049661467e+01 1.60 8.366071718e+01 8.366071718e+01 1.62 7.730442215e+01 7.730442215e+01 1.64 7.139588967e+01 7.139588967e+01 1.66 6.590415784e+01 6.590415784e+01 1.68 6.079925371e+01 6.079925371e+01 1.70 5.605330991e+01 5.605330991e+01 1.72 5.164383995e+01 5.164383995e+01 1.74 4.754616661e+01 4.754616661e+01 1.76 4.373683116e+01 4.373683116e+01 1.78 4.019516848e+01 4.019516848e+01 1.80 3.690320325e+01 3.690320325e+01 1.82 3.384306601e+01 3.384306601e+01 1.84 3.099856463e+01 3.099856463e+01 1.86 2.835509763e+01 2.835509763e+01 1.88 2.589943915e+01 2.589943915e+01 1.90 2.361944657e+01 2.361944657e+01 1.92 2.150374896e+01 2.150374896e+01 1.94 1.954150772e+01 1.954150772e+01 1.96 1.772230739e+01 1.772230739e+01 1.98 1.603617051e+01 1.603617051e+01 2.00 1.447362659e+01 1.447362659e+01 2.02 1.302575918e+01 1.302575918e+01 2.04 1.168419485e+01 1.168419485e+01 2.06 1.044104064e+01 1.044104064e+01 2.08 9.288806684e+00 9.288806684e+00 2.10 8.220358203e+00 8.220358203e+00 2.12 7.228925325e+00 7.228925325e+00 2.14 6.308166678e+00 6.308166678e+00 2.16 5.452258544e+00 5.452258544e+00 2.18 4.655969334e+00 4.655969334e+00 2.20 3.914691995e+00 3.914691995e+00 2.22 3.224422785e+00 3.224422785e+00 2.24 2.581697732e+00 2.581697732e+00 2.26 1.983505303e+00 1.983505303e+00 2.28 1.427194503e+00 1.427194503e+00 2.30 9.103933673e-01 9.103933673e-01 2.32 4.309411360e-01 4.309411360e-01 2.34 -1.316007634e-02 -1.316007634e-02 2.36 -4.237823134e-01 -4.237823134e-01 2.38 -8.026969197e-01 -8.026969197e-01 2.40 -1.151593132e+00 -1.151593132e+00 2.42 -1.472092605e+00 -1.472092605e+00 2.44 -1.765759585e+00 -1.765759585e+00 2.46 -2.033938099e+00 -2.033938099e+00 2.48 -2.278046334e+00 -2.278046334e+00 2.50 -2.499741131e+00 -2.499741131e+00 2.52 -2.700591643e+00 -2.700591643e+00 2.54 -2.882082015e+00 -2.882082015e+00 2.56 -3.045616015e+00 -3.045616015e+00 2.58 -3.192521530e+00 -3.192521530e+00 2.60 -3.324051064e+00 -3.324051064e+00 2.62 -3.441310667e+00 -3.441310667e+00 2.64 -3.544948201e+00 -3.544948201e+00 2.66 -3.635448823e+00 -3.635448823e+00 2.68 -3.713279838e+00 -3.713279838e+00 2.70 -3.778880893e+00 -3.778880893e+00 2.72 -3.832663816e+00 -3.832663816e+00 2.74 -3.875020414e+00 -3.875020414e+00 2.76 -3.906334393e+00 -3.906334393e+00 2.78 -3.926993805e+00 -3.926993805e+00 2.80 -3.937402980e+00 -3.937402980e+00 2.82 -3.937991891e+00 -3.937991891e+00 2.84 -3.929571619e+00 -3.929571619e+00 2.86 -3.913029907e+00 -3.913029907e+00 2.88 -3.888688007e+00 -3.888688007e+00 2.90 -3.856958652e+00 -3.856958652e+00 2.92 -3.818351476e+00 -3.818351476e+00 2.94 -3.773466548e+00 -3.773466548e+00 2.96 -3.722981711e+00 -3.722981711e+00 2.98 -3.667633014e+00 -3.667633014e+00 3.00 -3.608191522e+00 -3.608191522e+00 3.02 -3.545446119e+00 -3.545446119e+00 3.04 -3.480158943e+00 -3.480158943e+00 3.06 -3.413027112e+00 -3.413027112e+00 3.08 -3.344655231e+00 -3.344655231e+00 3.10 -3.275536285e+00 -3.275536285e+00 3.12 -3.206040697e+00 -3.206040697e+00 3.14 -3.136416779e+00 -3.136416779e+00 3.16 -3.066797596e+00 -3.066797596e+00 3.18 -2.997218595e+00 -2.997218595e+00 3.20 -2.927638813e+00 -2.927638813e+00 3.22 -2.857965012e+00 -2.857965012e+00 3.24 -2.788076049e+00 -2.788076049e+00 3.26 -2.717845693e+00 -2.717845693e+00 3.28 -2.647162752e+00 -2.647162752e+00 3.30 -2.575947871e+00 -2.575947871e+00 3.32 -2.504166757e+00 -2.504166757e+00 3.34 -2.431839737e+00 -2.431839737e+00 3.36 -2.359053265e+00 -2.359053265e+00 3.38 -2.285985684e+00 -2.285985684e+00 3.40 -2.212775728e+00 -2.212775728e+00 3.42 -2.139609646e+00 -2.139609646e+00 3.44 -2.066738859e+00 -2.066738859e+00 3.46 -1.994437242e+00 -1.994437242e+00 3.48 -1.922847037e+00 -1.922847037e+00 3.50 -1.852126285e+00 -1.852126285e+00 3.52 -1.782508920e+00 -1.782508920e+00 3.54 -1.714276453e+00 -1.714276453e+00 3.56 -1.647728418e+00 -1.647728418e+00 3.58 -1.583154908e+00 -1.583154908e+00 3.60 -1.520813860e+00 -1.520813860e+00 3.62 -1.460914720e+00 -1.460914720e+00 3.64 -1.403609004e+00 -1.403609004e+00 3.66 -1.348987318e+00 -1.348987318e+00 3.68 -1.297081699e+00 -1.297081699e+00 3.70 -1.247871795e+00 -1.247871795e+00 3.72 -1.201293392e+00 -1.201293392e+00 3.74 -1.157247922e+00 -1.157247922e+00 3.76 -1.115611924e+00 -1.115611924e+00 3.78 -1.076245708e+00 -1.076245708e+00 3.80 -1.039000789e+00 -1.039000789e+00 3.82 -1.003725891e+00 -1.003725891e+00 3.84 -9.702714946e-01 -9.702714946e-01 3.86 -9.384930249e-01 -9.384930249e-01 3.88 -9.082528705e-01 -9.082528705e-01 3.90 -8.794214453e-01 -8.794214453e-01 3.92 -8.518774360e-01 -8.518774360e-01 3.94 -8.255081722e-01 -8.255081722e-01 3.96 -8.002084995e-01 -8.002084995e-01 3.98 -7.758808518e-01 -7.758808518e-01 4.00 -7.524346539e-01 -7.524346539e-01 4.02 -7.297859474e-01 -7.297859474e-01 4.04 -7.078571289e-01 -7.078571289e-01 4.06 -6.865768175e-01 -6.865768175e-01 4.08 -6.658798591e-01 -6.658798591e-01 4.10 -6.457071034e-01 -6.457071034e-01 4.12 -6.260072466e-01 -6.260072466e-01 4.14 -6.067347954e-01 -6.067347954e-01 4.16 -5.878523272e-01 -5.878523272e-01 4.18 -5.693305984e-01 -5.693305984e-01 4.20 -5.511490817e-01 -5.511490817e-01 4.22 -5.332963554e-01 -5.332963554e-01 4.24 -5.157702167e-01 -5.157702167e-01 4.26 -4.985773852e-01 -4.985773852e-01 4.28 -4.817326901e-01 -4.817326901e-01 4.30 -4.652576845e-01 -4.652576845e-01 4.32 -4.491787089e-01 -4.491787089e-01 4.34 -4.335245182e-01 -4.335245182e-01 4.36 -4.183236667e-01 -4.183236667e-01 4.38 -4.036019054e-01 -4.036019054e-01 4.40 -3.893798598e-01 -3.893798598e-01 4.42 -3.756712140e-01 -3.756712140e-01 4.44 -3.624815544e-01 -3.624815544e-01 4.46 -3.498079227e-01 -3.498079227e-01 4.48 -3.376390317e-01 -3.376390317e-01 4.50 -3.259560203e-01 -3.259560203e-01 4.52 -3.147335845e-01 -3.147335845e-01 4.54 -3.039413136e-01 -3.039413136e-01 4.56 -2.935450460e-01 -2.935450460e-01 4.58 -2.835082044e-01 -2.835082044e-01 4.60 -2.737929734e-01 -2.737929734e-01 4.62 -2.643608326e-01 -2.643608326e-01 4.64 -2.551737329e-01 -2.551737329e-01 4.66 -2.461963838e-01 -2.461963838e-01 4.68 -2.373949161e-01 -2.373949161e-01 4.70 -2.287375159e-01 -2.287375159e-01 4.72 -2.201950348e-01 -2.201950348e-01 4.74 -2.117415359e-01 -2.117415359e-01 4.76 -2.033548185e-01 -2.033548185e-01 4.78 -1.950169417e-01 -1.950169417e-01 4.80 -1.867145375e-01 -1.867145375e-01 4.82 -1.784401995e-01 -1.784401995e-01 4.84 -1.701915359e-01 -1.701915359e-01 4.86 -1.619724692e-01 -1.619724692e-01 4.88 -1.537931984e-01 -1.537931984e-01 4.90 -1.456701048e-01 -1.456701048e-01 4.92 -1.376253928e-01 -1.376253928e-01 4.94 -1.296864092e-01 -1.296864092e-01 4.96 -1.218846327e-01 -1.218846327e-01 4.98 -1.142543623e-01 -1.142543623e-01 5.00 -1.068311763e-01 -1.068311763e-01 5.02 -9.965026639e-02 -9.965026639e-02 5.04 -9.274477294e-02 -9.274477294e-02 5.06 -8.614425503e-02 -8.614425503e-02 5.08 -7.987341564e-02 -7.987341564e-02 5.10 -7.395117297e-02 -7.395117297e-02 5.12 -6.839012871e-02 -6.839012871e-02 5.14 -6.319643990e-02 -6.319643990e-02 5.16 -5.837006017e-02 -5.837006017e-02 5.18 -5.390528512e-02 -5.390528512e-02 5.20 -4.979151789e-02 -4.979151789e-02 5.22 -4.601417379e-02 -4.601417379e-02 5.24 -4.255562408e-02 -4.255562408e-02 5.26 -3.939612309e-02 -3.939612309e-02 5.28 -3.651466379e-02 -3.651466379e-02 5.30 -3.388972679e-02 -3.388972679e-02 5.32 -3.149989799e-02 -3.149989799e-02 5.34 -2.932436712e-02 -2.932436712e-02 5.36 -2.734329658e-02 -2.734329658e-02 5.38 -2.553807539e-02 -2.553807539e-02 5.40 -2.389147461e-02 -2.389147461e-02 5.42 -2.238772024e-02 -2.238772024e-02 5.44 -2.101249994e-02 -2.101249994e-02 5.46 -1.975291904e-02 -1.975291904e-02 5.48 -1.859741967e-02 -1.859741967e-02 5.50 -1.753560171e-02 -1.753560171e-02 5.52 -1.655822685e-02 -1.655822685e-02 5.54 -1.565711747e-02 -1.565711747e-02 5.56 -1.482495662e-02 -1.482495662e-02 5.58 -1.405518165e-02 -1.405518165e-02 5.60 -1.334188865e-02 -1.334188865e-02 5.62 -1.267974933e-02 -1.267974933e-02 5.64 -1.206394088e-02 -1.206394088e-02 5.66 -1.149008775e-02 -1.149008775e-02 5.68 -1.095421367e-02 -1.095421367e-02 5.70 -1.045270208e-02 -1.045270208e-02 5.72 -9.982262905e-03 -9.982262905e-03 5.74 -9.539903990e-03 -9.539903990e-03 5.76 -9.122905782e-03 -9.122905782e-03 5.78 -8.728798365e-03 -8.728798365e-03 5.80 -8.355340165e-03 -8.355340165e-03 5.82 -8.000498033e-03 -8.000498033e-03 5.84 -7.662428577e-03 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