# 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 = Al2MoW # 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 2.021472421e+02 2.021472421e+02 1.30 1.874477973e+02 1.874477973e+02 1.32 1.738400757e+02 1.738400757e+02 1.34 1.612282328e+02 1.612282328e+02 1.36 1.495260835e+02 1.495260835e+02 1.38 1.386580780e+02 1.386580780e+02 1.40 1.285585766e+02 1.285585766e+02 1.42 1.191693834e+02 1.191693834e+02 1.44 1.104368630e+02 1.104368630e+02 1.46 1.023101448e+02 1.023101448e+02 1.48 9.474127022e+01 9.474127022e+01 1.50 8.768677077e+01 8.768677077e+01 1.52 8.110900782e+01 8.110900782e+01 1.54 7.497604559e+01 7.497604559e+01 1.56 6.926031061e+01 6.926031061e+01 1.58 6.393698868e+01 6.393698868e+01 1.60 5.898271554e+01 5.898271554e+01 1.62 5.437462385e+01 5.437462385e+01 1.64 5.008971328e+01 5.008971328e+01 1.66 4.610463822e+01 4.610463822e+01 1.68 4.239604553e+01 4.239604553e+01 1.70 3.894138379e+01 3.894138379e+01 1.72 3.571980365e+01 3.571980365e+01 1.74 3.271316725e+01 3.271316725e+01 1.76 2.990566884e+01 2.990566884e+01 1.78 2.728521090e+01 2.728521090e+01 1.80 2.484046611e+01 2.484046611e+01 1.82 2.256085817e+01 2.256085817e+01 1.84 2.043748813e+01 2.043748813e+01 1.86 1.846556696e+01 1.846556696e+01 1.88 1.663772103e+01 1.663772103e+01 1.90 1.494581333e+01 1.494581333e+01 1.92 1.338176949e+01 1.338176949e+01 1.94 1.193743972e+01 1.193743972e+01 1.96 1.060454696e+01 1.060454696e+01 1.98 9.374746087e+00 9.374746087e+00 2.00 8.239788721e+00 8.239788721e+00 2.02 7.191739212e+00 7.191739212e+00 2.04 6.223153607e+00 6.223153607e+00 2.06 5.327152540e+00 5.327152540e+00 2.08 4.497387254e+00 4.497387254e+00 2.10 3.727960825e+00 3.727960825e+00 2.12 3.013376910e+00 3.013376910e+00 2.14 2.348551026e+00 2.348551026e+00 2.16 1.728872872e+00 1.728872872e+00 2.18 1.150281051e+00 1.150281051e+00 2.20 6.093104257e-01 6.093104257e-01 2.22 1.030887093e-01 1.030887093e-01 2.24 -3.707190928e-01 -3.707190928e-01 2.26 -8.140024002e-01 -8.140024002e-01 2.28 -1.228309678e+00 -1.228309678e+00 2.30 -1.614945473e+00 -1.614945473e+00 2.32 -1.975048286e+00 -1.975048286e+00 2.34 -2.309646289e+00 -2.309646289e+00 2.36 -2.619679916e+00 -2.619679916e+00 2.38 -2.905991228e+00 -2.905991228e+00 2.40 -3.169510952e+00 -3.169510952e+00 2.42 -3.411160299e+00 -3.411160299e+00 2.44 -3.631846077e+00 -3.631846077e+00 2.46 -3.832474596e+00 -3.832474596e+00 2.48 -4.013963414e+00 -4.013963414e+00 2.50 -4.177251768e+00 -4.177251768e+00 2.52 -4.323310926e+00 -4.323310926e+00 2.54 -4.453107796e+00 -4.453107796e+00 2.56 -4.567363766e+00 -4.567363766e+00 2.58 -4.666884956e+00 -4.666884956e+00 2.60 -4.752728040e+00 -4.752728040e+00 2.62 -4.825977472e+00 -4.825977472e+00 2.64 -4.887688336e+00 -4.887688336e+00 2.66 -4.938823327e+00 -4.938823327e+00 2.68 -4.980202296e+00 -4.980202296e+00 2.70 -5.012478753e+00 -5.012478753e+00 2.72 -5.036051855e+00 -5.036051855e+00 2.74 -5.051038571e+00 -5.051038571e+00 2.76 -5.057512013e+00 -5.057512013e+00 2.78 -5.055553158e+00 -5.055553158e+00 2.80 -5.045272657e+00 -5.045272657e+00 2.82 -5.026826953e+00 -5.026826953e+00 2.84 -5.000429940e+00 -5.000429940e+00 2.86 -4.966361927e+00 -4.966361927e+00 2.88 -4.924977270e+00 -4.924977270e+00 2.90 -4.876710938e+00 -4.876710938e+00 2.92 -4.822083114e+00 -4.822083114e+00 2.94 -4.761913253e+00 -4.761913253e+00 2.96 -4.698143168e+00 -4.698143168e+00 2.98 -4.631284157e+00 -4.631284157e+00 3.00 -4.561653964e+00 -4.561653964e+00 3.02 -4.489648818e+00 -4.489648818e+00 3.04 -4.415704145e+00 -4.415704145e+00 3.06 -4.340255009e+00 -4.340255009e+00 3.08 -4.263699095e+00 -4.263699095e+00 3.10 -4.186369342e+00 -4.186369342e+00 3.12 -4.108540345e+00 -4.108540345e+00 3.14 -4.030395128e+00 -4.030395128e+00 3.16 -3.952002280e+00 -3.952002280e+00 3.18 -3.873325283e+00 -3.873325283e+00 3.20 -3.794240018e+00 -3.794240018e+00 3.22 -3.714557681e+00 -3.714557681e+00 3.24 -3.634050284e+00 -3.634050284e+00 3.26 -3.552476574e+00 -3.552476574e+00 3.28 -3.469606910e+00 -3.469606910e+00 3.30 -3.385246309e+00 -3.385246309e+00 3.32 -3.299255198e+00 -3.299255198e+00 3.34 -3.211567416e+00 -3.211567416e+00 3.36 -3.122204802e+00 -3.122204802e+00 3.38 -3.031287430e+00 -3.031287430e+00 3.40 -2.939038348e+00 -2.939038348e+00 3.42 -2.845781772e+00 -2.845781772e+00 3.44 -2.751933992e+00 -2.751933992e+00 3.46 -2.657987036e+00 -2.657987036e+00 3.48 -2.564485952e+00 -2.564485952e+00 3.50 -2.472001518e+00 -2.472001518e+00 3.52 -2.381100897e+00 -2.381100897e+00 3.54 -2.292319102e+00 -2.292319102e+00 3.56 -2.206133992e+00 -2.206133992e+00 3.58 -2.122946935e+00 -2.122946935e+00 3.60 -2.043070445e+00 -2.043070445e+00 3.62 -1.966723046e+00 -1.966723046e+00 3.64 -1.894030825e+00 -1.894030825e+00 3.66 -1.825034396e+00 -1.825034396e+00 3.68 -1.759699721e+00 -1.759699721e+00 3.70 -1.697931129e+00 -1.697931129e+00 3.72 -1.639585060e+00 -1.639585060e+00 3.74 -1.584483363e+00 -1.584483363e+00 3.76 -1.532425318e+00 -1.532425318e+00 3.78 -1.483197904e+00 -1.483197904e+00 3.80 -1.436584119e+00 -1.436584119e+00 3.82 -1.392369376e+00 -1.392369376e+00 3.84 -1.350346118e+00 -1.350346118e+00 3.86 -1.310316920e+00 -1.310316920e+00 3.88 -1.272096334e+00 -1.272096334e+00 3.90 -1.235511751e+00 -1.235511751e+00 3.92 -1.200403544e+00 -1.200403544e+00 3.94 -1.166624740e+00 -1.166624740e+00 3.96 -1.134040306e+00 -1.134040306e+00 3.98 -1.102526369e+00 -1.102526369e+00 4.00 -1.071969365e+00 -1.071969365e+00 4.02 -1.042265282e+00 -1.042265282e+00 4.04 -1.013319068e+00 -1.013319068e+00 4.06 -9.850442634e-01 -9.850442634e-01 4.08 -9.573629149e-01 -9.573629149e-01 4.10 -9.302057603e-01 -9.302057603e-01 4.12 -9.035128406e-01 -9.035128406e-01 4.14 -8.772341283e-01 -8.772341283e-01 4.16 -8.513306142e-01 -8.513306142e-01 4.18 -8.257753373e-01 -8.257753373e-01 4.20 -8.005543538e-01 -8.005543538e-01 4.22 -7.756674104e-01 -7.756674104e-01 4.24 -7.511280900e-01 -7.511280900e-01 4.26 -7.269632133e-01 -7.269632133e-01 4.28 -7.032113332e-01 -7.032113332e-01 4.30 -6.799202610e-01 -6.799202610e-01 4.32 -6.571437044e-01 -6.571437044e-01 4.34 -6.349372438e-01 -6.349372438e-01 4.36 -6.133540097e-01 -6.133540097e-01 4.38 -5.924404951e-01 -5.924404951e-01 4.40 -5.722329368e-01 -5.722329368e-01 4.42 -5.527546189e-01 -5.527546189e-01 4.44 -5.340143067e-01 -5.340143067e-01 4.46 -5.160058534e-01 -5.160058534e-01 4.48 -4.987088618e-01 -4.987088618e-01 4.50 -4.820901950e-01 -4.820901950e-01 4.52 -4.661060079e-01 -4.661060079e-01 4.54 -4.507040493e-01 -4.507040493e-01 4.56 -4.358259793e-01 -4.358259793e-01 4.58 -4.214095827e-01 -4.214095827e-01 4.60 -4.073907016e-01 -4.073907016e-01 4.62 -3.937046254e-01 -3.937046254e-01 4.64 -3.802876173e-01 -3.802876173e-01 4.66 -3.670789818e-01 -3.670789818e-01 4.68 -3.540209851e-01 -3.540209851e-01 4.70 -3.410598265e-01 -3.410598265e-01 4.72 -3.281466026e-01 -3.281466026e-01 4.74 -3.152382693e-01 -3.152382693e-01 4.76 -3.022986459e-01 -3.022986459e-01 4.78 -2.892994757e-01 -2.892994757e-01 4.80 -2.762215117e-01 -2.762215117e-01 4.82 -2.630556456e-01 -2.630556456e-01 4.84 -2.498038179e-01 -2.498038179e-01 4.86 -2.364798391e-01 -2.364798391e-01 4.88 -2.231098051e-01 -2.231098051e-01 4.90 -2.097320525e-01 -2.097320525e-01 4.92 -1.963965220e-01 -1.963965220e-01 4.94 -1.831634552e-01 -1.831634552e-01 4.96 -1.701014063e-01 -1.701014063e-01 4.98 -1.572846284e-01 -1.572846284e-01 5.00 -1.447899730e-01 -1.447899730e-01 5.02 -1.326935133e-01 -1.326935133e-01 5.04 -1.210671509e-01 -1.210671509e-01 5.06 -1.099754775e-01 -1.099754775e-01 5.08 -9.947314317e-02 -9.947314317e-02 5.10 -8.960292090e-02 -8.960292090e-02 5.12 -8.039457779e-02 -8.039457779e-02 5.14 -7.186457072e-02 -7.186457072e-02 5.16 -6.401650138e-02 -6.401650138e-02 5.18 -5.684219964e-02 -5.684219964e-02 5.20 -5.032326552e-02 -5.032326552e-02 5.22 -4.443288875e-02 -4.443288875e-02 5.24 -3.913777995e-02 -3.913777995e-02 5.26 -3.440005283e-02 -3.440005283e-02 5.28 -3.017896676e-02 -3.017896676e-02 5.30 -2.643244481e-02 -2.643244481e-02 5.32 -2.311835784e-02 -2.311835784e-02 5.34 -2.019553549e-02 -2.019553549e-02 5.36 -1.762451986e-02 -1.762451986e-02 5.38 -1.536772817e-02 -1.536772817e-02 5.40 -1.339061729e-02 -1.339061729e-02 5.42 -1.166162614e-02 -1.166162614e-02 5.44 -1.015187682e-02 -1.015187682e-02 5.46 -8.835196694e-03 -8.835196694e-03 5.48 -7.688050915e-03 -7.688050915e-03 5.50 -6.689414707e-03 -6.689414707e-03 5.52 -5.820608033e-03 -5.820608033e-03 5.54 -5.065109850e-03 -5.065109850e-03 5.56 -4.408364445e-03 -4.408364445e-03 5.58 -3.837588698e-03 -3.837588698e-03 5.60 -3.341586258e-03 -3.341586258e-03 5.62 -2.910572450e-03 -2.910572450e-03 5.64 -2.536012098e-03 -2.536012098e-03 5.66 -2.210471310e-03 -2.210471310e-03 5.68 -1.927483430e-03 -1.927483430e-03 5.70 -1.681428836e-03 -1.681428836e-03 5.72 -1.467427876e-03 -1.467427876e-03 5.74 -1.281246037e-03 -1.281246037e-03 5.76 -1.119210346e-03 -1.119210346e-03 5.78 -9.781359451e-04 -9.781359451e-04 5.80 -8.552617967e-04 -8.552617967e-04 5.82 -7.481945486e-04 -7.481945486e-04 5.84 -6.548596103e-04 -6.548596103e-04 5.86 -5.734585984e-04 -5.734585984e-04 5.88 -5.024323737e-04 -5.024323737e-04 5.90 -4.404289716e-04 -4.404289716e-04 5.92 -3.862758057e-04 -3.862758057e-04 5.94 -3.389555915e-04 -3.389555915e-04 5.96 -2.975855053e-04 -2.975855053e-04 5.98 -2.613991503e-04 -2.613991503e-04 6.00 -2.297309574e-04 -2.297309574e-04