# 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 = AlAuTa2 # 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 3.114498114e+02 3.114498114e+02 1.30 2.896941135e+02 2.896941135e+02 1.32 2.695247685e+02 2.695247685e+02 1.34 2.508179727e+02 2.508179727e+02 1.36 2.334538325e+02 2.334538325e+02 1.38 2.173188031e+02 2.173188031e+02 1.40 2.023085940e+02 2.023085940e+02 1.42 1.883298004e+02 1.883298004e+02 1.44 1.753000146e+02 1.753000146e+02 1.46 1.631467993e+02 1.631467993e+02 1.48 1.518060976e+02 1.518060976e+02 1.50 1.412207292e+02 1.412207292e+02 1.52 1.313391726e+02 1.313391726e+02 1.54 1.221143067e+02 1.221143067e+02 1.56 1.135020303e+02 1.135020303e+02 1.58 1.054602306e+02 1.054602306e+02 1.60 9.794850820e+01 9.794850820e+01 1.62 9.092851970e+01 9.092851970e+01 1.64 8.436446450e+01 8.436446450e+01 1.66 7.822336484e+01 7.822336484e+01 1.68 7.247507092e+01 7.247507092e+01 1.70 6.709207515e+01 6.709207515e+01 1.72 6.204921749e+01 6.204921749e+01 1.74 5.732332836e+01 5.732332836e+01 1.76 5.289285717e+01 5.289285717e+01 1.78 4.873754843e+01 4.873754843e+01 1.80 4.483822355e+01 4.483822355e+01 1.82 4.117670529e+01 4.117670529e+01 1.84 3.773589408e+01 3.773589408e+01 1.86 3.450525986e+01 3.450525986e+01 1.88 3.147464470e+01 3.147464470e+01 1.90 2.863076358e+01 2.863076358e+01 1.92 2.596857251e+01 2.596857251e+01 1.94 2.348530112e+01 2.348530112e+01 1.96 2.117352262e+01 2.117352262e+01 1.98 1.902505756e+01 1.902505756e+01 2.00 1.703185974e+01 1.703185974e+01 2.02 1.518579273e+01 1.518579273e+01 2.04 1.347843431e+01 1.347843431e+01 2.06 1.190106705e+01 1.190106705e+01 2.08 1.044481652e+01 1.044481652e+01 2.10 9.100874462e+00 9.100874462e+00 2.12 7.860736020e+00 7.860736020e+00 2.14 6.716393191e+00 6.716393191e+00 2.16 5.660454036e+00 5.660454036e+00 2.18 4.686185493e+00 4.686185493e+00 2.20 3.787495075e+00 3.787495075e+00 2.22 2.958871708e+00 2.958871708e+00 2.24 2.195303572e+00 2.195303572e+00 2.26 1.492186850e+00 1.492186850e+00 2.28 8.452371125e-01 8.452371125e-01 2.30 2.504143059e-01 2.504143059e-01 2.32 -2.961286740e-01 -2.961286740e-01 2.34 -7.980671888e-01 -7.980671888e-01 2.36 -1.258895430e+00 -1.258895430e+00 2.38 -1.681893481e+00 -1.681893481e+00 2.40 -2.070084600e+00 -2.070084600e+00 2.42 -2.426198803e+00 -2.426198803e+00 2.44 -2.752656073e+00 -2.752656073e+00 2.46 -3.051575822e+00 -3.051575822e+00 2.48 -3.324811678e+00 -3.324811678e+00 2.50 -3.574004854e+00 -3.574004854e+00 2.52 -3.800646364e+00 -3.800646364e+00 2.54 -4.006114027e+00 -4.006114027e+00 2.56 -4.191574182e+00 -4.191574182e+00 2.58 -4.358533388e+00 -4.358533388e+00 2.60 -4.508552378e+00 -4.508552378e+00 2.62 -4.643133990e+00 -4.643133990e+00 2.64 -4.763691821e+00 -4.763691821e+00 2.66 -4.871510645e+00 -4.871510645e+00 2.68 -4.967713989e+00 -4.967713989e+00 2.70 -5.053232110e+00 -5.053232110e+00 2.72 -5.128563801e+00 -5.128563801e+00 2.74 -5.193938281e+00 -5.193938281e+00 2.76 -5.249577746e+00 -5.249577746e+00 2.78 -5.295704835e+00 -5.295704835e+00 2.80 -5.332545009e+00 -5.332545009e+00 2.82 -5.360329158e+00 -5.360329158e+00 2.84 -5.379295827e+00 -5.379295827e+00 2.86 -5.389692979e+00 -5.389692979e+00 2.88 -5.391779478e+00 -5.391779478e+00 2.90 -5.385826350e+00 -5.385826350e+00 2.92 -5.372117823e+00 -5.372117823e+00 2.94 -5.350952003e+00 -5.350952003e+00 2.96 -5.322641069e+00 -5.322641069e+00 2.98 -5.287510773e+00 -5.287510773e+00 3.00 -5.245899000e+00 -5.245899000e+00 3.02 -5.198194491e+00 -5.198194491e+00 3.04 -5.145362272e+00 -5.145362272e+00 3.06 -5.087787509e+00 -5.087787509e+00 3.08 -5.025523315e+00 -5.025523315e+00 3.10 -4.958645181e+00 -4.958645181e+00 3.12 -4.887264186e+00 -4.887264186e+00 3.14 -4.811524108e+00 -4.811524108e+00 3.16 -4.731602075e+00 -4.731602075e+00 3.18 -4.647712717e+00 -4.647712717e+00 3.20 -4.560117674e+00 -4.560117674e+00 3.22 -4.469140276e+00 -4.469140276e+00 3.24 -4.375158569e+00 -4.375158569e+00 3.26 -4.278601980e+00 -4.278601980e+00 3.28 -4.179952164e+00 -4.179952164e+00 3.30 -4.079733349e+00 -4.079733349e+00 3.32 -3.978495474e+00 -3.978495474e+00 3.34 -3.876792136e+00 -3.876792136e+00 3.36 -3.775155667e+00 -3.775155667e+00 3.38 -3.674072273e+00 -3.674072273e+00 3.40 -3.573960177e+00 -3.573960177e+00 3.42 -3.475153187e+00 -3.475153187e+00 3.44 -3.377891150e+00 -3.377891150e+00 3.46 -3.282317710e+00 -3.282317710e+00 3.48 -3.188484728e+00 -3.188484728e+00 3.50 -3.096362069e+00 -3.096362069e+00 3.52 -3.005851098e+00 -3.005851098e+00 3.54 -2.916800265e+00 -2.916800265e+00 3.56 -2.829021419e+00 -2.829021419e+00 3.58 -2.742305866e+00 -2.742305866e+00 3.60 -2.656439569e+00 -2.656439569e+00 3.62 -2.571217216e+00 -2.571217216e+00 3.64 -2.486455037e+00 -2.486455037e+00 3.66 -2.402002353e+00 -2.402002353e+00 3.68 -2.317751753e+00 -2.317751753e+00 3.70 -2.233647694e+00 -2.233647694e+00 3.72 -2.149693167e+00 -2.149693167e+00 3.74 -2.065953913e+00 -2.065953913e+00 3.76 -1.982559637e+00 -1.982559637e+00 3.78 -1.899701699e+00 -1.899701699e+00 3.80 -1.817626946e+00 -1.817626946e+00 3.82 -1.736627678e+00 -1.736627678e+00 3.84 -1.657028155e+00 -1.657028155e+00 3.86 -1.579168482e+00 -1.579168482e+00 3.88 -1.503387102e+00 -1.503387102e+00 3.90 -1.430003369e+00 -1.430003369e+00 3.92 -1.359301667e+00 -1.359301667e+00 3.94 -1.291518419e+00 -1.291518419e+00 3.96 -1.226832864e+00 -1.226832864e+00 3.98 -1.165362136e+00 -1.165362136e+00 4.00 -1.107160561e+00 -1.107160561e+00 4.02 -1.052222746e+00 -1.052222746e+00 4.04 -1.000489696e+00 -1.000489696e+00 4.06 -9.518570676e-01 -9.518570676e-01 4.08 -9.061846460e-01 -9.061846460e-01 4.10 -8.633061985e-01 -8.633061985e-01 4.12 -8.230391340e-01 -8.230391340e-01 4.14 -7.851932609e-01 -7.851932609e-01 4.16 -7.495786090e-01 -7.495786090e-01 4.18 -7.160118999e-01 -7.160118999e-01 4.20 -6.843216610e-01 -6.843216610e-01 4.22 -6.543519317e-01 -6.543519317e-01 4.24 -6.259645658e-01 -6.259645658e-01 4.26 -5.990401662e-01 -5.990401662e-01 4.28 -5.734777314e-01 -5.734777314e-01 4.30 -5.491931459e-01 -5.491931459e-01 4.32 -5.261167226e-01 -5.261167226e-01 4.34 -5.041900742e-01 -5.041900742e-01 4.36 -4.833626519e-01 -4.833626519e-01 4.38 -4.635883111e-01 -4.635883111e-01 4.40 -4.448222367e-01 -4.448222367e-01 4.42 -4.270184939e-01 -4.270184939e-01 4.44 -4.101283546e-01 -4.101283546e-01 4.46 -3.940994220e-01 -3.940994220e-01 4.48 -3.788754873e-01 -3.788754873e-01 4.50 -3.643969772e-01 -3.643969772e-01 4.52 -3.506018038e-01 -3.506018038e-01 4.54 -3.374264114e-01 -3.374264114e-01 4.56 -3.248066429e-01 -3.248066429e-01 4.58 -3.126792582e-01 -3.126792582e-01 4.60 -3.009827829e-01 -3.009827829e-01 4.62 -2.896579592e-01 -2.896579592e-01 4.64 -2.786484059e-01 -2.786484059e-01 4.66 -2.679009344e-01 -2.679009344e-01 4.68 -2.573665545e-01 -2.573665545e-01 4.70 -2.470006331e-01 -2.470006331e-01 4.72 -2.367631561e-01 -2.367631561e-01 4.74 -2.266192372e-01 -2.266192372e-01 4.76 -2.165396652e-01 -2.165396652e-01 4.78 -2.065014940e-01 -2.065014940e-01 4.80 -1.964886537e-01 -1.964886537e-01 4.82 -1.864925812e-01 -1.864925812e-01 4.84 -1.765127130e-01 -1.765127130e-01 4.86 -1.665568968e-01 -1.665568968e-01 4.88 -1.566415314e-01 -1.566415314e-01 4.90 -1.467913911e-01 -1.467913911e-01 4.92 -1.370390536e-01 -1.370390536e-01 4.94 -1.274238854e-01 -1.274238854e-01 4.96 -1.179905835e-01 -1.179905835e-01 4.98 -1.087873177e-01 -1.087873177e-01 5.00 -9.986357752e-02 -9.986357752e-02 5.02 -9.126786764e-02 -9.126786764e-02 5.04 -8.304542901e-02 -8.304542901e-02 5.06 -7.523616728e-02 -7.523616728e-02 5.08 -6.787295134e-02 -6.787295134e-02 5.10 -6.098040296e-02 -6.098040296e-02 5.12 -5.457424188e-02 -5.457424188e-02 5.14 -4.866119160e-02 -4.866119160e-02 5.16 -4.323938325e-02 -4.323938325e-02 5.18 -3.829917384e-02 -3.829917384e-02 5.20 -3.382426735e-02 -3.382426735e-02 5.22 -2.979299836e-02 -2.979299836e-02 5.24 -2.617967084e-02 -2.617967084e-02 5.26 -2.295583253e-02 -2.295583253e-02 5.28 -2.009145240e-02 -2.009145240e-02 5.30 -1.755593344e-02 -1.755593344e-02 5.32 -1.531858779e-02 -1.531858779e-02 5.34 -1.335013615e-02 -1.335013615e-02 5.36 -1.162289869e-02 -1.162289869e-02 5.38 -1.011081602e-02 -1.011081602e-02 5.40 -8.789701465e-03 -8.789701465e-03 5.42 -7.637369478e-03 -7.637369478e-03 5.44 -6.633668959e-03 -6.633668959e-03 5.46 -5.760446879e-03 -5.760446879e-03 5.48 -5.001463224e-03 -5.001463224e-03 5.50 -4.342274251e-03 -4.342274251e-03 5.52 -3.770097272e-03 -3.770097272e-03 5.54 -3.273666894e-03 -3.273666894e-03 5.56 -2.843089976e-03 -2.843089976e-03 5.58 -2.469704339e-03 -2.469704339e-03 5.60 -2.145944593e-03 -2.145944593e-03 5.62 -1.865217096e-03 -1.865217096e-03 5.64 -1.621785163e-03 -1.621785163e-03 5.66 -1.410664859e-03 -1.410664859e-03 5.68 -1.227531319e-03 -1.227531319e-03 5.70 -1.068635143e-03 -1.068635143e-03 5.72 -9.307282591e-04 -9.307282591e-04 5.74 -8.109985075e-04 -8.109985075e-04 5.76 -7.070121791e-04 -7.070121791e-04 5.78 -6.166637063e-04 -6.166637063e-04 5.80 -5.381317518e-04 -5.381317518e-04 5.82 -4.698409725e-04 -4.698409725e-04 5.84 -4.104287924e-04 -4.104287924e-04 5.86 -3.587165760e-04 -3.587165760e-04 5.88 -3.136846535e-04 -3.136846535e-04 5.90 -2.744507063e-04 -2.744507063e-04 5.92 -2.402510776e-04 -2.402510776e-04 5.94 -2.104246229e-04 -2.104246229e-04 5.96 -1.843987624e-04 -1.843987624e-04 5.98 -1.616774404e-04 -1.616774404e-04 6.00 -1.418307330e-04 -1.418307330e-04