# 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 = AlCo2W # 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 1.803529571e+02 1.803529571e+02 1.30 1.661356166e+02 1.661356166e+02 1.32 1.530228825e+02 1.530228825e+02 1.34 1.409260862e+02 1.409260862e+02 1.36 1.297636433e+02 1.297636433e+02 1.38 1.194604059e+02 1.194604059e+02 1.40 1.099468054e+02 1.099468054e+02 1.42 1.011580514e+02 1.011580514e+02 1.44 9.303344121e+01 9.303344121e+01 1.46 8.551625246e+01 8.551625246e+01 1.48 7.855460852e+01 7.855460852e+01 1.50 7.210260085e+01 7.210260085e+01 1.52 6.612048877e+01 6.612048877e+01 1.54 6.057379909e+01 6.057379909e+01 1.56 5.543207002e+01 5.543207002e+01 1.58 5.066779209e+01 5.066779209e+01 1.60 4.625558992e+01 4.625558992e+01 1.62 4.217156575e+01 4.217156575e+01 1.64 3.839282760e+01 3.839282760e+01 1.66 3.489729823e+01 3.489729823e+01 1.68 3.166387709e+01 3.166387709e+01 1.70 2.867326757e+01 2.867326757e+01 1.72 2.590738069e+01 2.590738069e+01 1.74 2.334932488e+01 2.334932488e+01 1.76 2.098368101e+01 2.098368101e+01 1.78 1.879868975e+01 1.879868975e+01 1.80 1.678177564e+01 1.678177564e+01 1.82 1.492002273e+01 1.492002273e+01 1.84 1.320174390e+01 1.320174390e+01 1.86 1.161648211e+01 1.161648211e+01 1.88 1.015486955e+01 1.015486955e+01 1.90 8.808373472e+00 8.808373472e+00 1.92 7.569009445e+00 7.569009445e+00 1.94 6.429129969e+00 6.429129969e+00 1.96 5.381360100e+00 5.381360100e+00 1.98 4.418665492e+00 4.418665492e+00 2.00 3.534471269e+00 3.534471269e+00 2.02 2.722744098e+00 2.722744098e+00 2.04 1.977987052e+00 1.977987052e+00 2.06 1.295148642e+00 1.295148642e+00 2.08 6.694921912e-01 6.694921912e-01 2.10 9.648689558e-02 9.648689558e-02 2.12 -4.282376172e-01 -4.282376172e-01 2.14 -9.088658802e-01 -9.088658802e-01 2.16 -1.349321313e+00 -1.349321313e+00 2.18 -1.753176144e+00 -1.753176144e+00 2.20 -2.123581786e+00 -2.123581786e+00 2.22 -2.463243480e+00 -2.463243480e+00 2.24 -2.774444246e+00 -2.774444246e+00 2.26 -3.059039949e+00 -3.059039949e+00 2.28 -3.318651535e+00 -3.318651535e+00 2.30 -3.554835122e+00 -3.554835122e+00 2.32 -3.768962165e+00 -3.768962165e+00 2.34 -3.962273942e+00 -3.962273942e+00 2.36 -4.135920842e+00 -4.135920842e+00 2.38 -4.290989328e+00 -4.290989328e+00 2.40 -4.428500896e+00 -4.428500896e+00 2.42 -4.549232098e+00 -4.549232098e+00 2.44 -4.653873937e+00 -4.653873937e+00 2.46 -4.743192225e+00 -4.743192225e+00 2.48 -4.818020388e+00 -4.818020388e+00 2.50 -4.879249234e+00 -4.879249234e+00 2.52 -4.927815424e+00 -4.927815424e+00 2.54 -4.964690672e+00 -4.964690672e+00 2.56 -4.990872689e+00 -4.990872689e+00 2.58 -5.007374242e+00 -5.007374242e+00 2.60 -5.015203008e+00 -5.015203008e+00 2.62 -5.015338453e+00 -5.015338453e+00 2.64 -5.008746852e+00 -5.008746852e+00 2.66 -4.996127627e+00 -4.996127627e+00 2.68 -4.978018612e+00 -4.978018612e+00 2.70 -4.954833890e+00 -4.954833890e+00 2.72 -4.927047395e+00 -4.927047395e+00 2.74 -4.895741652e+00 -4.895741652e+00 2.76 -4.860838088e+00 -4.860838088e+00 2.78 -4.822103436e+00 -4.822103436e+00 2.80 -4.779331037e+00 -4.779331037e+00 2.82 -4.732277477e+00 -4.732277477e+00 2.84 -4.680746155e+00 -4.680746155e+00 2.86 -4.624612807e+00 -4.624612807e+00 2.88 -4.563844087e+00 -4.563844087e+00 2.90 -4.498465133e+00 -4.498465133e+00 2.92 -4.428555680e+00 -4.428555680e+00 2.94 -4.354258434e+00 -4.354258434e+00 2.96 -4.275789522e+00 -4.275789522e+00 2.98 -4.193448292e+00 -4.193448292e+00 3.00 -4.107622843e+00 -4.107622843e+00 3.02 -4.018787419e+00 -4.018787419e+00 3.04 -3.927488573e+00 -3.927488573e+00 3.06 -3.834319285e+00 -3.834319285e+00 3.08 -3.739883242e+00 -3.739883242e+00 3.10 -3.644755062e+00 -3.644755062e+00 3.12 -3.549443586e+00 -3.549443586e+00 3.14 -3.454364966e+00 -3.454364966e+00 3.16 -3.359829371e+00 -3.359829371e+00 3.18 -3.266041775e+00 -3.266041775e+00 3.20 -3.173114191e+00 -3.173114191e+00 3.22 -3.081085271e+00 -3.081085271e+00 3.24 -2.989943152e+00 -2.989943152e+00 3.26 -2.899648194e+00 -2.899648194e+00 3.28 -2.810153517e+00 -2.810153517e+00 3.30 -2.721422209e+00 -2.721422209e+00 3.32 -2.633440860e+00 -2.633440860e+00 3.34 -2.546229373e+00 -2.546229373e+00 3.36 -2.459847190e+00 -2.459847190e+00 3.38 -2.374396002e+00 -2.374396002e+00 3.40 -2.290019009e+00 -2.290019009e+00 3.42 -2.206896840e+00 -2.206896840e+00 3.44 -2.125240333e+00 -2.125240333e+00 3.46 -2.045280653e+00 -2.045280653e+00 3.48 -1.967257461e+00 -1.967257461e+00 3.50 -1.891406110e+00 -1.891406110e+00 3.52 -1.817944988e+00 -1.817944988e+00 3.54 -1.747064165e+00 -1.747064165e+00 3.56 -1.678916298e+00 -1.678916298e+00 3.58 -1.613610501e+00 -1.613610501e+00 3.60 -1.551209454e+00 -1.551209454e+00 3.62 -1.491729676e+00 -1.491729676e+00 3.64 -1.435144531e+00 -1.435144531e+00 3.66 -1.381389331e+00 -1.381389331e+00 3.68 -1.330367789e+00 -1.330367789e+00 3.70 -1.281959087e+00 -1.281959087e+00 3.72 -1.236024927e+00 -1.236024927e+00 3.74 -1.192416077e+00 -1.192416077e+00 3.76 -1.150978075e+00 -1.150978075e+00 3.78 -1.111555923e+00 -1.111555923e+00 3.80 -1.073997719e+00 -1.073997719e+00 3.82 -1.038157286e+00 -1.038157286e+00 3.84 -1.003895897e+00 -1.003895897e+00 3.86 -9.710832681e-01 -9.710832681e-01 3.88 -9.395979556e-01 -9.395979556e-01 3.90 -9.093273235e-01 -9.093273235e-01 3.92 -8.801672089e-01 -8.801672089e-01 3.94 -8.520214238e-01 -8.520214238e-01 3.96 -8.248011205e-01 -8.248011205e-01 3.98 -7.984241920e-01 -7.984241920e-01 4.00 -7.728146989e-01 -7.728146989e-01 4.02 -7.479024108e-01 -7.479024108e-01 4.04 -7.236225088e-01 -7.236225088e-01 4.06 -6.999154939e-01 -6.999154939e-01 4.08 -6.767273409e-01 -6.767273409e-01 4.10 -6.540099116e-01 -6.540099116e-01 4.12 -6.317216847e-01 -6.317216847e-01 4.14 -6.098286332e-01 -6.098286332e-01 4.16 -5.883053678e-01 -5.883053678e-01 4.18 -5.671362767e-01 -5.671362767e-01 4.20 -5.463165462e-01 -5.463165462e-01 4.22 -5.258528341e-01 -5.258528341e-01 4.24 -5.057633626e-01 -5.057633626e-01 4.26 -4.860772173e-01 -4.860772173e-01 4.28 -4.668327211e-01 -4.668327211e-01 4.30 -4.480748736e-01 -4.480748736e-01 4.32 -4.298520068e-01 -4.298520068e-01 4.34 -4.122119614e-01 -4.122119614e-01 4.36 -3.951981976e-01 -3.951981976e-01 4.38 -3.788462839e-01 -3.788462839e-01 4.40 -3.631811523e-01 -3.631811523e-01 4.42 -3.482153725e-01 -3.482153725e-01 4.44 -3.339485318e-01 -3.339485318e-01 4.46 -3.203676416e-01 -3.203676416e-01 4.48 -3.074483675e-01 -3.074483675e-01 4.50 -2.951568161e-01 -2.951568161e-01 4.52 -2.834516022e-01 -2.834516022e-01 4.54 -2.722859559e-01 -2.722859559e-01 4.56 -2.616096944e-01 -2.616096944e-01 4.58 -2.513709463e-01 -2.513709463e-01 4.60 -2.415175848e-01 -2.415175848e-01 4.62 -2.319983725e-01 -2.319983725e-01 4.64 -2.227638571e-01 -2.227638571e-01 4.66 -2.137670748e-01 -2.137670748e-01 4.68 -2.049641269e-01 -2.049641269e-01 4.70 -1.963146941e-01 -1.963146941e-01 4.72 -1.877825415e-01 -1.877825415e-01 4.74 -1.793360565e-01 -1.793360565e-01 4.76 -1.709488415e-01 -1.709488415e-01 4.78 -1.626003617e-01 -1.626003617e-01 4.80 -1.542766197e-01 -1.542766197e-01 4.82 -1.459708409e-01 -1.459708409e-01 4.84 -1.376840070e-01 -1.376840070e-01 4.86 -1.294252630e-01 -1.294252630e-01 4.88 -1.212120025e-01 -1.212120025e-01 4.90 -1.130695676e-01 -1.130695676e-01 4.92 -1.050304793e-01 -1.050304793e-01 4.94 -9.713316924e-02 -9.713316924e-02 4.96 -8.942024210e-02 -8.942024210e-02 4.98 -8.193635759e-02 -8.193635759e-02 5.00 -7.472590053e-02 -7.472590053e-02 5.02 -6.783063720e-02 -6.783063720e-02 5.04 -6.128756378e-02 -6.128756378e-02 5.06 -5.512714089e-02 -5.512714089e-02 5.08 -4.937184257e-02 -4.937184257e-02 5.10 -4.403570083e-02 -4.403570083e-02 5.12 -3.912480300e-02 -3.912480300e-02 5.14 -3.463710498e-02 -3.463710498e-02 5.16 -3.056330923e-02 -3.056330923e-02 5.18 -2.688803470e-02 -2.688803470e-02 5.20 -2.359111782e-02 -2.359111782e-02 5.22 -2.064892694e-02 -2.064892694e-02 5.24 -1.803559714e-02 -1.803559714e-02 5.26 -1.572410416e-02 -1.572410416e-02 5.28 -1.368695722e-02 -1.368695722e-02 5.30 -1.189755990e-02 -1.189755990e-02 5.32 -1.033043359e-02 -1.033043359e-02 5.34 -8.961479853e-03 -8.961479853e-03 5.36 -7.768259475e-03 -7.768259475e-03 5.38 -6.730147051e-03 -6.730147051e-03 5.40 -5.828388205e-03 -5.828388205e-03 5.42 -5.046083867e-03 -5.046083867e-03 5.44 -4.368122658e-03 -4.368122658e-03 5.46 -3.781078663e-03 -3.781078663e-03 5.48 -3.273088274e-03 -3.273088274e-03 5.50 -2.833716521e-03 -2.833716521e-03 5.52 -2.453820592e-03 -2.453820592e-03 5.54 -2.125415929e-03 -2.125415929e-03 5.56 -1.841548548e-03 -1.841548548e-03 5.58 -1.596175823e-03 -1.596175823e-03 5.60 -1.384056950e-03 -1.384056950e-03 5.62 -1.200653596e-03 -1.200653596e-03 5.64 -1.042040676e-03 -1.042040676e-03 5.66 -9.048268983e-04 -9.048268983e-04 5.68 -7.860844619e-04 -7.860844619e-04 5.70 -6.832872162e-04 -6.832872162e-04 5.72 -5.942564929e-04 -5.942564929e-04 5.74 -5.171138450e-04 -5.171138450e-04 5.76 -4.502399362e-04 -4.502399362e-04 5.78 -3.922388746e-04 -3.922388746e-04 5.80 -3.419073317e-04 -3.419073317e-04 5.82 -2.982078531e-04 -2.982078531e-04 5.84 -2.602458219e-04 -2.602458219e-04 5.86 -2.272495993e-04 -2.272495993e-04 5.88 -1.985534164e-04 -1.985534164e-04 5.90 -1.735826487e-04 -1.735826487e-04 5.92 -1.518411460e-04 -1.518411460e-04 5.94 -1.329003351e-04 -1.329003351e-04 5.96 -1.163898494e-04 -1.163898494e-04 5.98 -1.019894718e-04 -1.019894718e-04 6.00 -8.942220804e-05 -8.942220804e-05