# 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 = Al2AuMo # 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 1.888297386e+02 1.888297386e+02 1.30 1.754148025e+02 1.754148025e+02 1.32 1.629482818e+02 1.629482818e+02 1.34 1.513637537e+02 1.513637537e+02 1.36 1.406016784e+02 1.406016784e+02 1.38 1.306054557e+02 1.306054557e+02 1.40 1.213190515e+02 1.213190515e+02 1.42 1.126868404e+02 1.126868404e+02 1.44 1.046550679e+02 1.046550679e+02 1.46 9.717379070e+01 9.717379070e+01 1.48 9.019820322e+01 9.019820322e+01 1.50 8.368877665e+01 8.368877665e+01 1.52 7.761048166e+01 7.761048166e+01 1.54 7.193181131e+01 7.193181131e+01 1.56 6.662403343e+01 6.662403343e+01 1.58 6.166070658e+01 6.166070658e+01 1.60 5.701740452e+01 5.701740452e+01 1.62 5.267161844e+01 5.267161844e+01 1.64 4.860277746e+01 4.860277746e+01 1.66 4.479227160e+01 4.479227160e+01 1.68 4.122352718e+01 4.122352718e+01 1.70 3.789021429e+01 3.789021429e+01 1.72 3.478571224e+01 3.478571224e+01 1.74 3.189502391e+01 3.189502391e+01 1.76 2.920403459e+01 2.920403459e+01 1.78 2.670243729e+01 2.670243729e+01 1.80 2.437867098e+01 2.437867098e+01 1.82 2.222042837e+01 2.222042837e+01 1.84 2.021617340e+01 2.021617340e+01 1.86 1.835518229e+01 1.835518229e+01 1.88 1.662753115e+01 1.662753115e+01 1.90 1.502402632e+01 1.502402632e+01 1.92 1.353610676e+01 1.353610676e+01 1.94 1.215575962e+01 1.215575962e+01 1.96 1.087547366e+01 1.087547366e+01 1.98 9.688221277e+00 9.688221277e+00 2.00 8.587438592e+00 8.587438592e+00 2.02 7.566984603e+00 7.566984603e+00 2.04 6.621084839e+00 6.621084839e+00 2.06 5.744276540e+00 5.744276540e+00 2.08 4.931368912e+00 4.931368912e+00 2.10 4.177426788e+00 4.177426788e+00 2.12 3.477781283e+00 3.477781283e+00 2.14 2.828063687e+00 2.828063687e+00 2.16 2.224250623e+00 2.224250623e+00 2.18 1.662704586e+00 1.662704586e+00 2.20 1.140196220e+00 1.140196220e+00 2.22 6.539009505e-01 6.539009505e-01 2.24 2.013704176e-01 2.013704176e-01 2.26 -2.195141990e-01 -2.195141990e-01 2.28 -6.105965287e-01 -6.105965287e-01 2.30 -9.734974132e-01 -9.734974132e-01 2.32 -1.309659963e+00 -1.309659963e+00 2.34 -1.620386049e+00 -1.620386049e+00 2.36 -1.906866399e+00 -1.906866399e+00 2.38 -2.170207054e+00 -2.170207054e+00 2.40 -2.411454235e+00 -2.411454235e+00 2.42 -2.631617996e+00 -2.631617996e+00 2.44 -2.831660468e+00 -2.831660468e+00 2.46 -3.012480771e+00 -3.012480771e+00 2.48 -3.175186079e+00 -3.175186079e+00 2.50 -3.320908592e+00 -3.320908592e+00 2.52 -3.450786511e+00 -3.450786511e+00 2.54 -3.565966851e+00 -3.565966851e+00 2.56 -3.667608544e+00 -3.667608544e+00 2.58 -3.756883175e+00 -3.756883175e+00 2.60 -3.834963506e+00 -3.834963506e+00 2.62 -3.902888766e+00 -3.902888766e+00 2.64 -3.961524492e+00 -3.961524492e+00 2.66 -4.011684958e+00 -4.011684958e+00 2.68 -4.054100239e+00 -4.054100239e+00 2.70 -4.089385857e+00 -4.089385857e+00 2.72 -4.118037861e+00 -4.118037861e+00 2.74 -4.140513631e+00 -4.140513631e+00 2.76 -4.157056794e+00 -4.157056794e+00 2.78 -4.167811967e+00 -4.167811967e+00 2.80 -4.172903090e+00 -4.172903090e+00 2.82 -4.172486471e+00 -4.172486471e+00 2.84 -4.167738705e+00 -4.167738705e+00 2.86 -4.158899199e+00 -4.158899199e+00 2.88 -4.145683171e+00 -4.145683171e+00 2.90 -4.127888031e+00 -4.127888031e+00 2.92 -4.105394849e+00 -4.105394849e+00 2.94 -4.078170346e+00 -4.078170346e+00 2.96 -4.046265786e+00 -4.046265786e+00 2.98 -4.009816137e+00 -4.009816137e+00 3.00 -3.969041280e+00 -3.969041280e+00 3.02 -3.924262152e+00 -3.924262152e+00 3.04 -3.875872622e+00 -3.875872622e+00 3.06 -3.824306653e+00 -3.824306653e+00 3.08 -3.770014261e+00 -3.770014261e+00 3.10 -3.713434022e+00 -3.713434022e+00 3.12 -3.654966310e+00 -3.654966310e+00 3.14 -3.594952005e+00 -3.594952005e+00 3.16 -3.533659880e+00 -3.533659880e+00 3.18 -3.471284228e+00 -3.471284228e+00 3.20 -3.407951441e+00 -3.407951441e+00 3.22 -3.343733075e+00 -3.343733075e+00 3.24 -3.278662321e+00 -3.278662321e+00 3.26 -3.212751225e+00 -3.212751225e+00 3.28 -3.146006826e+00 -3.146006826e+00 3.30 -3.078445171e+00 -3.078445171e+00 3.32 -3.010102751e+00 -3.010102751e+00 3.34 -2.941045188e+00 -2.941045188e+00 3.36 -2.871373064e+00 -2.871373064e+00 3.38 -2.801224771e+00 -2.801224771e+00 3.40 -2.730776262e+00 -2.730776262e+00 3.42 -2.660237662e+00 -2.660237662e+00 3.44 -2.589846868e+00 -2.589846868e+00 3.46 -2.519860630e+00 -2.519860630e+00 3.48 -2.450543809e+00 -2.450543809e+00 3.50 -2.382157817e+00 -2.382157817e+00 3.52 -2.314949333e+00 -2.314949333e+00 3.54 -2.249140345e+00 -2.249140345e+00 3.56 -2.184920338e+00 -2.184920338e+00 3.58 -2.122441137e+00 -2.122441137e+00 3.60 -2.061814550e+00 -2.061814550e+00 3.62 -2.003112609e+00 -2.003112609e+00 3.64 -1.946369959e+00 -1.946369959e+00 3.66 -1.891587822e+00 -1.891587822e+00 3.68 -1.838738912e+00 -1.838738912e+00 3.70 -1.787772740e+00 -1.787772740e+00 3.72 -1.738620853e+00 -1.738620853e+00 3.74 -1.691201693e+00 -1.691201693e+00 3.76 -1.645424867e+00 -1.645424867e+00 3.78 -1.601194752e+00 -1.601194752e+00 3.80 -1.558413412e+00 -1.558413412e+00 3.82 -1.516982893e+00 -1.516982893e+00 3.84 -1.476806948e+00 -1.476806948e+00 3.86 -1.437792290e+00 -1.437792290e+00 3.88 -1.399849449e+00 -1.399849449e+00 3.90 -1.362893302e+00 -1.362893302e+00 3.92 -1.326843342e+00 -1.326843342e+00 3.94 -1.291623783e+00 -1.291623783e+00 3.96 -1.257163448e+00 -1.257163448e+00 3.98 -1.223395645e+00 -1.223395645e+00 4.00 -1.190257982e+00 -1.190257982e+00 4.02 -1.157692240e+00 -1.157692240e+00 4.04 -1.125644348e+00 -1.125644348e+00 4.06 -1.094064556e+00 -1.094064556e+00 4.08 -1.062907837e+00 -1.062907837e+00 4.10 -1.032134561e+00 -1.032134561e+00 4.12 -1.001711576e+00 -1.001711576e+00 4.14 -9.716133364e-01 -9.716133364e-01 4.16 -9.418234732e-01 -9.418234732e-01 4.18 -9.123363026e-01 -9.123363026e-01 4.20 -8.831582441e-01 -8.831582441e-01 4.22 -8.543088714e-01 -8.543088714e-01 4.24 -8.258213332e-01 -8.258213332e-01 4.26 -7.977418883e-01 -7.977418883e-01 4.28 -7.701283695e-01 -7.701283695e-01 4.30 -7.430475053e-01 -7.430475053e-01 4.32 -7.165711949e-01 -7.165711949e-01 4.34 -6.907720058e-01 -6.907720058e-01 4.36 -6.657183151e-01 -6.657183151e-01 4.38 -6.414696046e-01 -6.414696046e-01 4.40 -6.180724146e-01 -6.180724146e-01 4.42 -5.955573674e-01 -5.955573674e-01 4.44 -5.739375043e-01 -5.739375043e-01 4.46 -5.532079813e-01 -5.532079813e-01 4.48 -5.333469899e-01 -5.333469899e-01 4.50 -5.143176334e-01 -5.143176334e-01 4.52 -4.960704291e-01 -4.960704291e-01 4.54 -4.785461014e-01 -4.785461014e-01 4.56 -4.616783861e-01 -4.616783861e-01 4.58 -4.453966399e-01 -4.453966399e-01 4.60 -4.296281351e-01 -4.296281351e-01 4.62 -4.142999952e-01 -4.142999952e-01 4.64 -3.993407871e-01 -3.993407871e-01 4.66 -3.846818247e-01 -3.846818247e-01 4.68 -3.702582599e-01 -3.702582599e-01 4.70 -3.560100431e-01 -3.560100431e-01 4.72 -3.418828287e-01 -3.418828287e-01 4.74 -3.278288861e-01 -3.278288861e-01 4.76 -3.138080520e-01 -3.138080520e-01 4.78 -2.997887370e-01 -2.997887370e-01 4.80 -2.857489510e-01 -2.857489510e-01 4.82 -2.716773676e-01 -2.716773676e-01 4.84 -2.575741586e-01 -2.575741586e-01 4.86 -2.434517350e-01 -2.434517350e-01 4.88 -2.293350795e-01 -2.293350795e-01 4.90 -2.152616106e-01 -2.152616106e-01 4.92 -2.012804529e-01 -2.012804529e-01 4.94 -1.874510432e-01 -1.874510432e-01 4.96 -1.738410591e-01 -1.738410591e-01 4.98 -1.605237282e-01 -1.605237282e-01 5.00 -1.475746643e-01 -1.475746643e-01 5.02 -1.350684552e-01 -1.350684552e-01 5.04 -1.230752463e-01 -1.230752463e-01 5.06 -1.116576006e-01 -1.116576006e-01 5.08 -1.008678838e-01 -1.008678838e-01 5.10 -9.074620102e-02 -9.074620102e-02 5.12 -8.131939854e-02 -8.131939854e-02 5.14 -7.260137442e-02 -7.260137442e-02 5.16 -6.459304955e-02 -6.459304955e-02 5.18 -5.728350865e-02 -5.728350865e-02 5.20 -5.065161756e-02 -5.065161756e-02 5.22 -4.466790830e-02 -4.466790830e-02 5.24 -3.929656331e-02 -3.929656331e-02 5.26 -3.449733733e-02 -3.449733733e-02 5.28 -3.022732645e-02 -3.022732645e-02 5.30 -2.644250052e-02 -2.644250052e-02 5.32 -2.309899168e-02 -2.309899168e-02 5.34 -2.015410177e-02 -2.015410177e-02 5.36 -1.756704633e-02 -1.756704633e-02 5.38 -1.529909635e-02 -1.529909635e-02 5.40 -1.331473928e-02 -1.331473928e-02 5.42 -1.158160427e-02 -1.158160427e-02 5.44 -1.007013568e-02 -1.007013568e-02 5.46 -8.753599133e-03 -8.753599133e-03 5.48 -7.607998580e-03 -7.607998580e-03 5.50 -6.611934130e-03 -6.611934130e-03 5.52 -5.746423620e-03 -5.746423620e-03 5.54 -4.994705153e-03 -4.994705153e-03 5.56 -4.342033169e-03 -4.342033169e-03 5.58 -3.775476810e-03 -3.775476810e-03 5.60 -3.283726481e-03 -3.283726481e-03 5.62 -2.856912293e-03 -2.856912293e-03 5.64 -2.486436461e-03 -2.486436461e-03 5.66 -2.164820559e-03 -2.164820559e-03 5.68 -1.885567724e-03 -1.885567724e-03 5.70 -1.643039367e-03 -1.643039367e-03 5.72 -1.432345587e-03 -1.432345587e-03 5.74 -1.249248297e-03 -1.249248297e-03 5.76 -1.090075973e-03 -1.090075973e-03 5.78 -9.516488988e-04 -9.516488988e-04 5.80 -8.312138292e-04 -8.312138292e-04 5.82 -7.263870146e-04 -7.263870146e-04 5.84 -6.351046314e-04 -6.351046314e-04 5.86 -5.555797227e-04 -5.555797227e-04 5.88 -4.862648509e-04 -4.862648509e-04 5.90 -4.258197381e-04 -4.258197381e-04 5.92 -3.730832559e-04 -3.730832559e-04 5.94 -3.270491953e-04 -3.270491953e-04 5.96 -2.868453196e-04 -2.868453196e-04 5.98 -2.517152614e-04 -2.517152614e-04 6.00 -2.210028825e-04 -2.210028825e-04