# 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 = FePbTa2 # 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 3.991103067e+02 3.991103067e+02 1.30 3.707294016e+02 3.707294016e+02 1.32 3.444526428e+02 3.444526428e+02 1.34 3.201111103e+02 3.201111103e+02 1.36 2.975449427e+02 2.975449427e+02 1.38 2.766056382e+02 2.766056382e+02 1.40 2.571582767e+02 2.571582767e+02 1.42 2.390822582e+02 2.390822582e+02 1.44 2.222704201e+02 2.222704201e+02 1.46 2.066272037e+02 2.066272037e+02 1.48 1.920666879e+02 1.920666879e+02 1.50 1.785109097e+02 1.785109097e+02 1.52 1.658884765e+02 1.658884765e+02 1.54 1.541333247e+02 1.541333247e+02 1.56 1.431837173e+02 1.431837173e+02 1.58 1.329816912e+02 1.329816912e+02 1.60 1.234730126e+02 1.234730126e+02 1.62 1.146074225e+02 1.146074225e+02 1.64 1.063388136e+02 1.063388136e+02 1.66 9.862511427e+01 9.862511427e+01 1.68 9.142783861e+01 9.142783861e+01 1.70 8.471147521e+01 8.471147521e+01 1.72 7.844289920e+01 7.844289920e+01 1.74 7.259095935e+01 7.259095935e+01 1.76 6.712627695e+01 6.712627695e+01 1.78 6.202121283e+01 6.202121283e+01 1.80 5.724992006e+01 5.724992006e+01 1.82 5.278840318e+01 5.278840318e+01 1.84 4.861670721e+01 4.861670721e+01 1.86 4.472202543e+01 4.472202543e+01 1.88 4.108568499e+01 4.108568499e+01 1.90 3.769001552e+01 3.769001552e+01 1.92 3.452358368e+01 3.452358368e+01 1.94 3.157441792e+01 3.157441792e+01 1.96 2.882874195e+01 2.882874195e+01 1.98 2.627387727e+01 2.627387727e+01 2.00 2.389802771e+01 2.389802771e+01 2.02 2.169006653e+01 2.169006653e+01 2.04 1.963936701e+01 1.963936701e+01 2.06 1.773571259e+01 1.773571259e+01 2.08 1.596928929e+01 1.596928929e+01 2.10 1.433073881e+01 1.433073881e+01 2.12 1.281122789e+01 1.281122789e+01 2.14 1.140250283e+01 1.140250283e+01 2.16 1.009691158e+01 1.009691158e+01 2.18 8.887391381e+00 8.887391381e+00 2.20 7.767424670e+00 7.767424670e+00 2.22 6.730979006e+00 6.730979006e+00 2.24 5.772435127e+00 5.772435127e+00 2.26 4.886512982e+00 4.886512982e+00 2.28 4.068198582e+00 4.068198582e+00 2.30 3.312689130e+00 3.312689130e+00 2.32 2.615349804e+00 2.615349804e+00 2.34 1.971708486e+00 1.971708486e+00 2.36 1.377474784e+00 1.377474784e+00 2.38 8.285874457e-01 8.285874457e-01 2.40 3.212720974e-01 3.212720974e-01 2.42 -1.479070603e-01 -1.479070603e-01 2.44 -5.820183237e-01 -5.820183237e-01 2.46 -9.837612847e-01 -9.837612847e-01 2.48 -1.355493652e+00 -1.355493652e+00 2.50 -1.699275720e+00 -1.699275720e+00 2.52 -2.016738574e+00 -2.016738574e+00 2.54 -2.309574366e+00 -2.309574366e+00 2.56 -2.579496399e+00 -2.579496399e+00 2.58 -2.828051653e+00 -2.828051653e+00 2.60 -3.056655663e+00 -3.056655663e+00 2.62 -3.266613434e+00 -3.266613434e+00 2.64 -3.459132980e+00 -3.459132980e+00 2.66 -3.635321938e+00 -3.635321938e+00 2.68 -3.795990128e+00 -3.795990128e+00 2.70 -3.941618476e+00 -3.941618476e+00 2.72 -4.072677166e+00 -4.072677166e+00 2.74 -4.189630968e+00 -4.189630968e+00 2.76 -4.292925262e+00 -4.292925262e+00 2.78 -4.382979733e+00 -4.382979733e+00 2.80 -4.460188885e+00 -4.460188885e+00 2.82 -4.524928080e+00 -4.524928080e+00 2.84 -4.577563427e+00 -4.577563427e+00 2.86 -4.618463391e+00 -4.618463391e+00 2.88 -4.648009807e+00 -4.648009807e+00 2.90 -4.666606236e+00 -4.666606236e+00 2.92 -4.674682156e+00 -4.674682156e+00 2.94 -4.672692349e+00 -4.672692349e+00 2.96 -4.661111784e+00 -4.661111784e+00 2.98 -4.640427115e+00 -4.640427115e+00 3.00 -4.611126446e+00 -4.611126446e+00 3.02 -4.573689260e+00 -4.573689260e+00 3.04 -4.528579562e+00 -4.528579562e+00 3.06 -4.476240879e+00 -4.476240879e+00 3.08 -4.417089536e+00 -4.417089536e+00 3.10 -4.351526781e+00 -4.351526781e+00 3.12 -4.279947011e+00 -4.279947011e+00 3.14 -4.202755033e+00 -4.202755033e+00 3.16 -4.120376533e+00 -4.120376533e+00 3.18 -4.033279175e+00 -4.033279175e+00 3.20 -3.941986902e+00 -3.941986902e+00 3.22 -3.847087549e+00 -3.847087549e+00 3.24 -3.749183897e+00 -3.749183897e+00 3.26 -3.648914998e+00 -3.648914998e+00 3.28 -3.546994111e+00 -3.546994111e+00 3.30 -3.444187185e+00 -3.444187185e+00 3.32 -3.341282302e+00 -3.341282302e+00 3.34 -3.239053899e+00 -3.239053899e+00 3.36 -3.138225206e+00 -3.138225206e+00 3.38 -3.039432943e+00 -3.039432943e+00 3.40 -2.943198100e+00 -2.943198100e+00 3.42 -2.849906356e+00 -2.849906356e+00 3.44 -2.759798291e+00 -2.759798291e+00 3.46 -2.672987464e+00 -2.672987464e+00 3.48 -2.589461636e+00 -2.589461636e+00 3.50 -2.509030926e+00 -2.509030926e+00 3.52 -2.431414285e+00 -2.431414285e+00 3.54 -2.356265983e+00 -2.356265983e+00 3.56 -2.283198648e+00 -2.283198648e+00 3.58 -2.211804980e+00 -2.211804980e+00 3.60 -2.141675375e+00 -2.141675375e+00 3.62 -2.072397089e+00 -2.072397089e+00 3.64 -2.003578278e+00 -2.003578278e+00 3.66 -1.934874486e+00 -1.934874486e+00 3.68 -1.866001256e+00 -1.866001256e+00 3.70 -1.796745308e+00 -1.796745308e+00 3.72 -1.726974058e+00 -1.726974058e+00 3.74 -1.656642854e+00 -1.656642854e+00 3.76 -1.585799089e+00 -1.585799089e+00 3.78 -1.514582297e+00 -1.514582297e+00 3.80 -1.443219455e+00 -1.443219455e+00 3.82 -1.372015083e+00 -1.372015083e+00 3.84 -1.301336269e+00 -1.301336269e+00 3.86 -1.231593370e+00 -1.231593370e+00 3.88 -1.163217751e+00 -1.163217751e+00 3.90 -1.096638397e+00 -1.096638397e+00 3.92 -1.032259012e+00 -1.032259012e+00 3.94 -9.704400149e-01 -9.704400149e-01 3.96 -9.114805554e-01 -9.114805554e-01 3.98 -8.556103028e-01 -8.556103028e-01 4.00 -8.029844270e-01 -8.029844270e-01 4.02 -7.536842377e-01 -7.536842377e-01 4.04 -7.077221374e-01 -7.077221374e-01 4.06 -6.650497536e-01 -6.650497536e-01 4.08 -6.255680313e-01 -6.255680313e-01 4.10 -5.891367046e-01 -5.891367046e-01 4.12 -5.555911430e-01 -5.555911430e-01 4.14 -5.247428193e-01 -5.247428193e-01 4.16 -4.963947283e-01 -4.963947283e-01 4.18 -4.703468718e-01 -4.703468718e-01 4.20 -4.464019956e-01 -4.464019956e-01 4.22 -4.243698896e-01 -4.243698896e-01 4.24 -4.040704067e-01 -4.040704067e-01 4.26 -3.853353981e-01 -3.853353981e-01 4.28 -3.680097707e-01 -3.680097707e-01 4.30 -3.519518637e-01 -3.519518637e-01 4.32 -3.370333095e-01 -3.370333095e-01 4.34 -3.231385453e-01 -3.231385453e-01 4.36 -3.101640918e-01 -3.101640918e-01 4.38 -2.980176754e-01 -2.980176754e-01 4.40 -2.866172796e-01 -2.866172796e-01 4.42 -2.758901859e-01 -2.758901859e-01 4.44 -2.657719119e-01 -2.657719119e-01 4.46 -2.562049273e-01 -2.562049273e-01 4.48 -2.471394187e-01 -2.471394187e-01 4.50 -2.385313249e-01 -2.385313249e-01 4.52 -2.303415257e-01 -2.303415257e-01 4.54 -2.225353114e-01 -2.225353114e-01 4.56 -2.150818779e-01 -2.150818779e-01 4.58 -2.079538607e-01 -2.079538607e-01 4.60 -2.011269112e-01 -2.011269112e-01 4.62 -1.945793182e-01 -1.945793182e-01 4.64 -1.882916720e-01 -1.882916720e-01 4.66 -1.822465680e-01 -1.822465680e-01 4.68 -1.764283476e-01 -1.764283476e-01 4.70 -1.708228711e-01 -1.708228711e-01 4.72 -1.654173204e-01 -1.654173204e-01 4.74 -1.602000277e-01 -1.602000277e-01 4.76 -1.551603268e-01 -1.551603268e-01 4.78 -1.502884249e-01 -1.502884249e-01 4.80 -1.455744963e-01 -1.455744963e-01 4.82 -1.410118999e-01 -1.410118999e-01 4.84 -1.365919194e-01 -1.365919194e-01 4.86 -1.323073085e-01 -1.323073085e-01 4.88 -1.281512873e-01 -1.281512873e-01 4.90 -1.241174979e-01 -1.241174979e-01 4.92 -1.201999710e-01 -1.201999710e-01 4.94 -1.163931014e-01 -1.163931014e-01 4.96 -1.126916333e-01 -1.126916333e-01 4.98 -1.090906540e-01 -1.090906540e-01 5.00 -1.055855956e-01 -1.055855956e-01 5.02 -1.021722446e-01 -1.021722446e-01 5.04 -9.884675701e-02 -9.884675701e-02 5.06 -9.560567914e-02 -9.560567914e-02 5.08 -9.244596982e-02 -9.244596982e-02 5.10 -8.936502385e-02 -8.936502385e-02 5.12 -8.636069210e-02 -8.636069210e-02 5.14 -8.343129494e-02 -8.343129494e-02 5.16 -8.057562497e-02 -8.057562497e-02 5.18 -7.779293541e-02 -7.779293541e-02 5.20 -7.508291061e-02 -7.508291061e-02 5.22 -7.244561669e-02 -7.244561669e-02 5.24 -6.988143139e-02 -6.988143139e-02 5.26 -6.739093367e-02 -6.739093367e-02 5.28 -6.497468968e-02 -6.497468968e-02 5.30 -6.263345069e-02 -6.263345069e-02 5.32 -6.036788622e-02 -6.036788622e-02 5.34 -5.817842543e-02 -5.817842543e-02 5.36 -5.606515833e-02 -5.606515833e-02 5.38 -5.402775722e-02 -5.402775722e-02 5.40 -5.206542538e-02 -5.206542538e-02 5.42 -5.017687377e-02 -5.017687377e-02 5.44 -4.836032536e-02 -4.836032536e-02 5.46 -4.661354435e-02 -4.661354435e-02 5.48 -4.493388545e-02 -4.493388545e-02 5.50 -4.331835743e-02 -4.331835743e-02 5.52 -4.176369495e-02 -4.176369495e-02 5.54 -4.026643302e-02 -4.026643302e-02 5.56 -3.882297963e-02 -3.882297963e-02 5.58 -3.742968291e-02 -3.742968291e-02 5.60 -3.608289071e-02 -3.608289071e-02 5.62 -3.477900177e-02 -3.477900177e-02 5.64 -3.351450895e-02 -3.351450895e-02 5.66 -3.228603338e-02 -3.228603338e-02 5.68 -3.109035251e-02 -3.109035251e-02 5.70 -2.992442275e-02 -2.992442275e-02 5.72 -2.878539847e-02 -2.878539847e-02 5.74 -2.767064857e-02 -2.767064857e-02 5.76 -2.657777185e-02 -2.657777185e-02 5.78 -2.550461230e-02 -2.550461230e-02 5.80 -2.444927470e-02 -2.444927470e-02 5.82 -2.341014110e-02 -2.341014110e-02 5.84 -2.238588777e-02 -2.238588777e-02 5.86 -2.137550233e-02 -2.137550233e-02 5.88 -2.037830003e-02 -2.037830003e-02 5.90 -1.939393792e-02 -1.939393792e-02 5.92 -1.842242535e-02 -1.842242535e-02 5.94 -1.746411393e-02 -1.746411393e-02 5.96 -1.651964137e-02 -1.651964137e-02 5.98 -1.559007862e-02 -1.559007862e-02 6.00 -1.467683306e-02 -1.467683306e-02