# 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 = AlTaW2 # 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 3.313963378e+02 3.313963378e+02 1.30 3.068244445e+02 3.068244445e+02 1.32 2.841118372e+02 2.841118372e+02 1.34 2.630967021e+02 2.630967021e+02 1.36 2.436327496e+02 2.436327496e+02 1.38 2.255892612e+02 2.255892612e+02 1.40 2.088507894e+02 2.088507894e+02 1.42 1.933155483e+02 1.933155483e+02 1.44 1.788925565e+02 1.788925565e+02 1.46 1.654985621e+02 1.654985621e+02 1.48 1.530559920e+02 1.530559920e+02 1.50 1.414924108e+02 1.414924108e+02 1.52 1.307409652e+02 1.307409652e+02 1.54 1.207409960e+02 1.207409960e+02 1.56 1.114383354e+02 1.114383354e+02 1.58 1.027850458e+02 1.027850458e+02 1.60 9.473847399e+01 9.473847399e+01 1.62 8.725978249e+01 8.725978249e+01 1.64 8.031241854e+01 8.031241854e+01 1.66 7.386101676e+01 7.386101676e+01 1.68 6.787101684e+01 6.787101684e+01 1.70 6.230892682e+01 6.230892682e+01 1.72 5.714287772e+01 5.714287772e+01 1.74 5.234309892e+01 5.234309892e+01 1.76 4.788216800e+01 4.788216800e+01 1.78 4.373509021e+01 4.373509021e+01 1.80 3.987928922e+01 3.987928922e+01 1.82 3.629452439e+01 3.629452439e+01 1.84 3.296271073e+01 3.296271073e+01 1.86 2.986762940e+01 2.986762940e+01 1.88 2.699454345e+01 2.699454345e+01 1.90 2.432977570e+01 2.432977570e+01 1.92 2.186135986e+01 2.186135986e+01 1.94 1.958045506e+01 1.958045506e+01 1.96 1.747505633e+01 1.747505633e+01 1.98 1.553211675e+01 1.553211675e+01 2.00 1.373985163e+01 1.373985163e+01 2.02 1.208564062e+01 1.208564062e+01 2.04 1.055753616e+01 1.055753616e+01 2.06 9.144588396e+00 9.144588396e+00 2.08 7.836861687e+00 7.836861687e+00 2.10 6.625356422e+00 6.625356422e+00 2.12 5.501911843e+00 5.501911843e+00 2.14 4.459144814e+00 4.459144814e+00 2.16 3.490435673e+00 3.490435673e+00 2.18 2.589935885e+00 2.589935885e+00 2.20 1.752560168e+00 1.752560168e+00 2.22 9.739365548e-01 9.739365548e-01 2.24 2.503097949e-01 2.503097949e-01 2.26 -4.215869961e-01 -4.215869961e-01 2.28 -1.044668096e+00 -1.044668096e+00 2.30 -1.621615252e+00 -1.621615252e+00 2.32 -2.154967017e+00 -2.154967017e+00 2.34 -2.647171698e+00 -2.647171698e+00 2.36 -3.100607048e+00 -3.100607048e+00 2.38 -3.517575355e+00 -3.517575355e+00 2.40 -3.900285524e+00 -3.900285524e+00 2.42 -4.250833326e+00 -4.250833326e+00 2.44 -4.571187880e+00 -4.571187880e+00 2.46 -4.863187975e+00 -4.863187975e+00 2.48 -5.128547669e+00 -5.128547669e+00 2.50 -5.368868236e+00 -5.368868236e+00 2.52 -5.585653171e+00 -5.585653171e+00 2.54 -5.780323730e+00 -5.780323730e+00 2.56 -5.954232861e+00 -5.954232861e+00 2.58 -6.108614296e+00 -6.108614296e+00 2.60 -6.244604873e+00 -6.244604873e+00 2.62 -6.363516914e+00 -6.363516914e+00 2.64 -6.466577889e+00 -6.466577889e+00 2.66 -6.554900143e+00 -6.554900143e+00 2.68 -6.629407442e+00 -6.629407442e+00 2.70 -6.690970351e+00 -6.690970351e+00 2.72 -6.740437850e+00 -6.740437850e+00 2.74 -6.778557524e+00 -6.778557524e+00 2.76 -6.805684966e+00 -6.805684966e+00 2.78 -6.821885115e+00 -6.821885115e+00 2.80 -6.827289002e+00 -6.827289002e+00 2.82 -6.822098998e+00 -6.822098998e+00 2.84 -6.806580799e+00 -6.806580799e+00 2.86 -6.780993577e+00 -6.780993577e+00 2.88 -6.745544239e+00 -6.745544239e+00 2.90 -6.700521728e+00 -6.700521728e+00 2.92 -6.646312954e+00 -6.646312954e+00 2.94 -6.583401807e+00 -6.583401807e+00 2.96 -6.512364968e+00 -6.512364968e+00 2.98 -6.433861790e+00 -6.433861790e+00 3.00 -6.348616442e+00 -6.348616442e+00 3.02 -6.257391986e+00 -6.257391986e+00 3.04 -6.161003813e+00 -6.161003813e+00 3.06 -6.061058981e+00 -6.061058981e+00 3.08 -5.958211335e+00 -5.958211335e+00 3.10 -5.852617834e+00 -5.852617834e+00 3.12 -5.744368213e+00 -5.744368213e+00 3.14 -5.633471643e+00 -5.633471643e+00 3.16 -5.519854595e+00 -5.519854595e+00 3.18 -5.403378684e+00 -5.403378684e+00 3.20 -5.283886460e+00 -5.283886460e+00 3.22 -5.161192299e+00 -5.161192299e+00 3.24 -5.035098704e+00 -5.035098704e+00 3.26 -4.905426642e+00 -4.905426642e+00 3.28 -4.772045798e+00 -4.772045798e+00 3.30 -4.634903024e+00 -4.634903024e+00 3.32 -4.494047239e+00 -4.494047239e+00 3.34 -4.349649098e+00 -4.349649098e+00 3.36 -4.202013851e+00 -4.202013851e+00 3.38 -4.051586061e+00 -4.051586061e+00 3.40 -3.898945206e+00 -3.898945206e+00 3.42 -3.744791773e+00 -3.744791773e+00 3.44 -3.589924156e+00 -3.589924156e+00 3.46 -3.435207565e+00 -3.435207565e+00 3.48 -3.281537030e+00 -3.281537030e+00 3.50 -3.129797420e+00 -3.129797420e+00 3.52 -2.980823944e+00 -2.980823944e+00 3.54 -2.835366748e+00 -2.835366748e+00 3.56 -2.694062810e+00 -2.694062810e+00 3.58 -2.557417497e+00 -2.557417497e+00 3.60 -2.425796920e+00 -2.425796920e+00 3.62 -2.299430918e+00 -2.299430918e+00 3.64 -2.178425314e+00 -2.178425314e+00 3.66 -2.062781187e+00 -2.062781187e+00 3.68 -1.952418455e+00 -1.952418455e+00 3.70 -1.847200970e+00 -1.847200970e+00 3.72 -1.746960582e+00 -1.746960582e+00 3.74 -1.651518132e+00 -1.651518132e+00 3.76 -1.560699934e+00 -1.560699934e+00 3.78 -1.474348965e+00 -1.474348965e+00 3.80 -1.392330617e+00 -1.392330617e+00 3.82 -1.314533421e+00 -1.314533421e+00 3.84 -1.240865603e+00 -1.240865603e+00 3.86 -1.171248651e+00 -1.171248651e+00 3.88 -1.105609216e+00 -1.105609216e+00 3.90 -1.043870683e+00 -1.043870683e+00 3.92 -9.859455254e-01 -9.859455254e-01 3.94 -9.317293806e-01 -9.317293806e-01 3.96 -8.810972589e-01 -8.810972589e-01 3.98 -8.339021705e-01 -8.339021705e-01 4.00 -7.899759567e-01 -7.899759567e-01 4.02 -7.491319616e-01 -7.491319616e-01 4.04 -7.111690669e-01 -7.111690669e-01 4.06 -6.758765679e-01 -6.758765679e-01 4.08 -6.430394122e-01 -6.430394122e-01 4.10 -6.124433541e-01 -6.124433541e-01 4.12 -5.838795813e-01 -5.838795813e-01 4.14 -5.571494673e-01 -5.571494673e-01 4.16 -5.320680610e-01 -5.320680610e-01 4.18 -5.084666879e-01 -5.084666879e-01 4.20 -4.861950940e-01 -4.861950940e-01 4.22 -4.651227477e-01 -4.651227477e-01 4.24 -4.451392781e-01 -4.451392781e-01 4.26 -4.261540301e-01 -4.261540301e-01 4.28 -4.080947452e-01 -4.080947452e-01 4.30 -3.909054260e-01 -3.909054260e-01 4.32 -3.745435140e-01 -3.745435140e-01 4.34 -3.589765888e-01 -3.589765888e-01 4.36 -3.441788626e-01 -3.441788626e-01 4.38 -3.301277751e-01 -3.301277751e-01 4.40 -3.168009849e-01 -3.168009849e-01 4.42 -3.041739855e-01 -3.041739855e-01 4.44 -2.922184857e-01 -2.922184857e-01 4.46 -2.809015777e-01 -2.809015777e-01 4.48 -2.701856220e-01 -2.701856220e-01 4.50 -2.600286919e-01 -2.600286919e-01 4.52 -2.503854208e-01 -2.503854208e-01 4.54 -2.412080557e-01 -2.412080557e-01 4.56 -2.324475663e-01 -2.324475663e-01 4.58 -2.240546794e-01 -2.240546794e-01 4.60 -2.159807999e-01 -2.159807999e-01 4.62 -2.081786764e-01 -2.081786764e-01 4.64 -2.006030712e-01 -2.006030712e-01 4.66 -1.932116768e-01 -1.932116768e-01 4.68 -1.859650598e-01 -1.859650598e-01 4.70 -1.788270460e-01 -1.788270460e-01 4.72 -1.717651050e-01 -1.717651050e-01 4.74 -1.647507369e-01 -1.647507369e-01 4.76 -1.577598867e-01 -1.577598867e-01 4.78 -1.507733928e-01 -1.507733928e-01 4.80 -1.437774518e-01 -1.437774518e-01 4.82 -1.367641106e-01 -1.367641106e-01 4.84 -1.297316473e-01 -1.297316473e-01 4.86 -1.226849094e-01 -1.226849094e-01 4.88 -1.156354437e-01 -1.156354437e-01 4.90 -1.086013921e-01 -1.086013921e-01 4.92 -1.016070868e-01 -1.016070868e-01 4.94 -9.468230698e-02 -9.468230698e-02 4.96 -8.786119229e-02 -8.786119229e-02 4.98 -8.118084585e-02 -8.118084585e-02 5.00 -7.467970048e-02 -7.467970048e-02 5.02 -6.839575864e-02 -6.839575864e-02 5.04 -6.236483907e-02 -6.236483907e-02 5.06 -5.661896920e-02 -5.661896920e-02 5.08 -5.118504889e-02 -5.118504889e-02 5.10 -4.608387991e-02 -4.608387991e-02 5.12 -4.132961302e-02 -4.132961302e-02 5.14 -3.692961832e-02 -3.692961832e-02 5.16 -3.288474218e-02 -3.288474218e-02 5.18 -2.918988015e-02 -2.918988015e-02 5.20 -2.583477937e-02 -2.583477937e-02 5.22 -2.280497802e-02 -2.280497802e-02 5.24 -2.008279247e-02 -2.008279247e-02 5.26 -1.764825587e-02 -1.764825587e-02 5.28 -1.547969863e-02 -1.547969863e-02 5.30 -1.355534895e-02 -1.355534895e-02 5.32 -1.185354898e-02 -1.185354898e-02 5.34 -1.035308492e-02 -1.035308492e-02 5.36 -9.033605426e-03 -9.033605426e-03 5.38 -7.875913164e-03 -7.875913164e-03 5.40 -6.862149301e-03 -6.862149301e-03 5.42 -5.975891267e-03 -5.975891267e-03 5.44 -5.202183050e-03 -5.202183050e-03 5.46 -4.527515166e-03 -4.527515166e-03 5.48 -3.939768852e-03 -3.939768852e-03 5.50 -3.428136443e-03 -3.428136443e-03 5.52 -2.983027322e-03 -2.983027322e-03 5.54 -2.595966675e-03 -2.595966675e-03 5.56 -2.259492379e-03 -2.259492379e-03 5.58 -1.967053786e-03 -1.967053786e-03 5.60 -1.712915006e-03 -1.712915006e-03 5.62 -1.492064271e-03 -1.492064271e-03 5.64 -1.300130307e-03 -1.300130307e-03 5.66 -1.133306098e-03 -1.133306098e-03 5.68 -9.882800482e-04 -9.882800482e-04 5.70 -8.621743280e-04 -8.621743280e-04 5.72 -7.524900009e-04 -7.524900009e-04 5.74 -6.570584468e-04 -6.570584468e-04 5.76 -5.739985500e-04 -5.739985500e-04 5.78 -5.016791051e-04 -5.016791051e-04 5.80 -4.386859070e-04 -4.386859070e-04 5.82 -3.837930125e-04 -3.837930125e-04 5.84 -3.359376989e-04 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