# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCuPt2 # 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 2022-05-24 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 7.835283234e+02 7.835283234e+02 1.00 7.161536031e+02 7.161536031e+02 1.02 6.549392166e+02 6.549392166e+02 1.04 5.992890219e+02 5.992890219e+02 1.06 5.486688903e+02 5.486688903e+02 1.08 5.026007380e+02 5.026007380e+02 1.10 4.606588471e+02 4.606588471e+02 1.12 4.224564067e+02 4.224564067e+02 1.14 3.876430342e+02 3.876430342e+02 1.16 3.559014171e+02 3.559014171e+02 1.18 3.269487228e+02 3.269487228e+02 1.20 3.005260421e+02 3.005260421e+02 1.22 2.763986966e+02 2.763986966e+02 1.24 2.543584356e+02 2.543584356e+02 1.26 2.342122557e+02 2.342122557e+02 1.28 2.157863083e+02 2.157863083e+02 1.30 1.989194750e+02 1.989194750e+02 1.32 1.834702048e+02 1.834702048e+02 1.34 1.693101969e+02 1.693101969e+02 1.36 1.563209946e+02 1.563209946e+02 1.38 1.443950981e+02 1.443950981e+02 1.40 1.334369913e+02 1.334369913e+02 1.42 1.233577322e+02 1.233577322e+02 1.44 1.140782806e+02 1.140782806e+02 1.46 1.055273449e+02 1.055273449e+02 1.48 9.764052429e+01 9.764052429e+01 1.50 9.035875498e+01 9.035875498e+01 1.52 8.362866109e+01 8.362866109e+01 1.54 7.740160667e+01 7.740160667e+01 1.56 7.163380579e+01 7.163380579e+01 1.58 6.628571087e+01 6.628571087e+01 1.60 6.132311013e+01 6.132311013e+01 1.62 5.671353680e+01 5.671353680e+01 1.64 5.242795011e+01 5.242795011e+01 1.66 4.843998085e+01 4.843998085e+01 1.68 4.472555759e+01 4.472555759e+01 1.70 4.126279612e+01 4.126279612e+01 1.72 3.803193207e+01 3.803193207e+01 1.74 3.501516513e+01 3.501516513e+01 1.76 3.219562378e+01 3.219562378e+01 1.78 2.955774171e+01 2.955774171e+01 1.80 2.708931328e+01 2.708931328e+01 1.82 2.477849593e+01 2.477849593e+01 1.84 2.261653051e+01 2.261653051e+01 1.86 2.059809510e+01 2.059809510e+01 1.88 1.871599155e+01 1.871599155e+01 1.90 1.694437999e+01 1.694437999e+01 1.92 1.529024630e+01 1.529024630e+01 1.94 1.375151617e+01 1.375151617e+01 1.96 1.230685075e+01 1.230685075e+01 1.98 1.095087060e+01 1.095087060e+01 2.00 9.678844878e+00 9.678844878e+00 2.02 8.486409020e+00 8.486409020e+00 2.04 7.369555045e+00 7.369555045e+00 2.06 6.324495246e+00 6.324495246e+00 2.08 5.347651019e+00 5.347651019e+00 2.10 4.435833170e+00 4.435833170e+00 2.12 3.585409217e+00 3.585409217e+00 2.14 2.793809787e+00 2.793809787e+00 2.16 2.058198643e+00 2.058198643e+00 2.18 1.376007691e+00 1.376007691e+00 2.20 7.446674616e-01 7.446674616e-01 2.22 1.615937395e-01 1.615937395e-01 2.24 -3.756470883e-01 -3.756470883e-01 2.26 -8.694101646e-01 -8.694101646e-01 2.28 -1.321980575e+00 -1.321980575e+00 2.30 -1.734800339e+00 -1.734800339e+00 2.32 -2.110367350e+00 -2.110367350e+00 2.34 -2.451195467e+00 -2.451195467e+00 2.36 -2.759216597e+00 -2.759216597e+00 2.38 -3.036295605e+00 -3.036295605e+00 2.40 -3.284328719e+00 -3.284328719e+00 2.42 -3.505090405e+00 -3.505090405e+00 2.44 -3.700245939e+00 -3.700245939e+00 2.46 -3.871411345e+00 -3.871411345e+00 2.48 -4.020204411e+00 -4.020204411e+00 2.50 -4.148252686e+00 -4.148252686e+00 2.52 -4.256562695e+00 -4.256562695e+00 2.54 -4.346536102e+00 -4.346536102e+00 2.56 -4.419675972e+00 -4.419675972e+00 2.58 -4.476796119e+00 -4.476796119e+00 2.60 -4.520293808e+00 -4.520293808e+00 2.62 -4.550776523e+00 -4.550776523e+00 2.64 -4.569039255e+00 -4.569039255e+00 2.66 -4.576261842e+00 -4.576261842e+00 2.68 -4.573376596e+00 -4.573376596e+00 2.70 -4.561119130e+00 -4.561119130e+00 2.72 -4.540332298e+00 -4.540332298e+00 2.74 -4.511810797e+00 -4.511810797e+00 2.76 -4.476296742e+00 -4.476296742e+00 2.78 -4.434888709e+00 -4.434888709e+00 2.80 -4.388067209e+00 -4.388067209e+00 2.82 -4.336179337e+00 -4.336179337e+00 2.84 -4.279796886e+00 -4.279796886e+00 2.86 -4.219399616e+00 -4.219399616e+00 2.88 -4.154817150e+00 -4.154817150e+00 2.90 -4.087263233e+00 -4.087263233e+00 2.92 -4.017338590e+00 -4.017338590e+00 2.94 -3.945231614e+00 -3.945231614e+00 2.96 -3.870268718e+00 -3.870268718e+00 2.98 -3.793337875e+00 -3.793337875e+00 3.00 -3.715338760e+00 -3.715338760e+00 3.02 -3.636522393e+00 -3.636522393e+00 3.04 -3.557315497e+00 -3.557315497e+00 3.06 -3.477997097e+00 -3.477997097e+00 3.08 -3.398516823e+00 -3.398516823e+00 3.10 -3.319064894e+00 -3.319064894e+00 3.12 -3.239807346e+00 -3.239807346e+00 3.14 -3.160855087e+00 -3.160855087e+00 3.16 -3.082339716e+00 -3.082339716e+00 3.18 -3.004440373e+00 -3.004440373e+00 3.20 -2.927260476e+00 -2.927260476e+00 3.22 -2.850896811e+00 -2.850896811e+00 3.24 -2.775421635e+00 -2.775421635e+00 3.26 -2.701578149e+00 -2.701578149e+00 3.28 -2.628960268e+00 -2.628960268e+00 3.30 -2.557393782e+00 -2.557393782e+00 3.32 -2.486929577e+00 -2.486929577e+00 3.34 -2.417612425e+00 -2.417612425e+00 3.36 -2.349480297e+00 -2.349480297e+00 3.38 -2.282564641e+00 -2.282564641e+00 3.40 -2.216894219e+00 -2.216894219e+00 3.42 -2.152550225e+00 -2.152550225e+00 3.44 -2.089485060e+00 -2.089485060e+00 3.46 -2.027680302e+00 -2.027680302e+00 3.48 -1.967121829e+00 -1.967121829e+00 3.50 -1.907763284e+00 -1.907763284e+00 3.52 -1.849604335e+00 -1.849604335e+00 3.54 -1.792746595e+00 -1.792746595e+00 3.56 -1.737216688e+00 -1.737216688e+00 3.58 -1.682868796e+00 -1.682868796e+00 3.60 -1.629591285e+00 -1.629591285e+00 3.62 -1.577442362e+00 -1.577442362e+00 3.64 -1.526546356e+00 -1.526546356e+00 3.66 -1.476969696e+00 -1.476969696e+00 3.68 -1.428673316e+00 -1.428673316e+00 3.70 -1.381625802e+00 -1.381625802e+00 3.72 -1.335798834e+00 -1.335798834e+00 3.74 -1.291166150e+00 -1.291166150e+00 3.76 -1.247714418e+00 -1.247714418e+00 3.78 -1.205433097e+00 -1.205433097e+00 3.80 -1.164297338e+00 -1.164297338e+00 3.82 -1.124265141e+00 -1.124265141e+00 3.84 -1.085318945e+00 -1.085318945e+00 3.86 -1.047451503e+00 -1.047451503e+00 3.88 -1.010634626e+00 -1.010634626e+00 3.90 -9.748498048e-01 -9.748498048e-01 3.92 -9.399918436e-01 -9.399918436e-01 3.94 -9.060565528e-01 -9.060565528e-01 3.96 -8.730964950e-01 -8.730964950e-01 3.98 -8.410670321e-01 -8.410670321e-01 4.00 -8.099037789e-01 -8.099037789e-01 4.02 -7.797131602e-01 -7.797131602e-01 4.04 -7.505769804e-01 -7.505769804e-01 4.06 -7.226454939e-01 -7.226454939e-01 4.08 -6.958618610e-01 -6.958618610e-01 4.10 -6.700864401e-01 -6.700864401e-01 4.12 -6.452666706e-01 -6.452666706e-01 4.14 -6.213735153e-01 -6.213735153e-01 4.16 -5.981198029e-01 -5.981198029e-01 4.18 -5.752729435e-01 -5.752729435e-01 4.20 -5.526688429e-01 -5.526688429e-01 4.22 -5.301979480e-01 -5.301979480e-01 4.24 -5.077936495e-01 -5.077936495e-01 4.26 -4.854224747e-01 -4.854224747e-01 4.28 -4.630181065e-01 -4.630181065e-01 4.30 -4.411501093e-01 -4.411501093e-01 4.32 -4.196707850e-01 -4.196707850e-01 4.34 -3.984231625e-01 -3.984231625e-01 4.36 -3.774489123e-01 -3.774489123e-01 4.38 -3.568249582e-01 -3.568249582e-01 4.40 -3.366643574e-01 -3.366643574e-01 4.42 -3.170612079e-01 -3.170612079e-01 4.44 -2.980850713e-01 -2.980850713e-01 4.46 -2.797852802e-01 -2.797852802e-01 4.48 -2.621945805e-01 -2.621945805e-01 4.50 -2.453321938e-01 -2.453321938e-01 4.52 -2.292063966e-01 -2.292063966e-01 4.54 -2.138166835e-01 -2.138166835e-01 4.56 -1.991553846e-01 -1.991553846e-01 4.58 -1.851933452e-01 -1.851933452e-01 4.60 -1.723747295e-01 -1.723747295e-01 4.62 -1.606292812e-01 -1.606292812e-01 4.64 -1.494689274e-01 -1.494689274e-01 4.66 -1.388883126e-01 -1.388883126e-01 4.68 -1.288651492e-01 -1.288651492e-01 4.70 -1.193764988e-01 -1.193764988e-01 4.72 -1.103991769e-01 -1.103991769e-01 4.74 -1.019100238e-01 -1.019100238e-01 4.76 -9.388612156e-02 -9.388612156e-02 4.78 -8.630496051e-02 -8.630496051e-02 4.80 -7.914282884e-02 -7.914282884e-02 4.82 -7.243165835e-02 -7.243165835e-02 4.84 -6.611579339e-02 -6.611579339e-02 4.86 -6.015374418e-02 -6.015374418e-02 4.88 -5.452679345e-02 -5.452679345e-02 4.90 -4.921701168e-02 -4.921701168e-02 4.92 -4.420688536e-02 -4.420688536e-02 4.94 -3.943522315e-02 -3.943522315e-02 4.96 -3.558095991e-02 -3.558095991e-02 4.98 -3.257962429e-02 -3.257962429e-02 5.00 -2.971253339e-02 -2.971253339e-02 5.02 -2.701371911e-02 -2.701371911e-02 5.04 -2.447389009e-02 -2.447389009e-02 5.06 -2.208392732e-02 -2.208392732e-02 5.08 -1.983520373e-02 -1.983520373e-02 5.10 -1.771956303e-02 -1.771956303e-02 5.12 -1.572929848e-02 -1.572929848e-02 5.14 -1.385713166e-02 -1.385713166e-02 5.16 -1.209619141e-02 -1.209619141e-02 5.18 -1.043999344e-02 -1.043999344e-02 5.20 -8.882420568e-03 -8.882420568e-03 5.22 -7.417703628e-03 -7.417703628e-03 5.24 -6.040402700e-03 -6.040402700e-03 5.26 -4.745365913e-03 -4.745365913e-03 5.28 -3.529292579e-03 -3.529292579e-03 5.30 -2.420905970e-03 -2.420905970e-03 5.32 -2.120001346e-03 -2.120001346e-03 5.34 -1.861658612e-03 -1.861658612e-03 5.36 -1.625020368e-03 -1.625020368e-03 5.38 -1.403163542e-03 -1.403163542e-03 5.40 -1.195186957e-03 -1.195186957e-03 5.42 -1.000242956e-03 -1.000242956e-03 5.44 -8.175342993e-04 -8.175342993e-04 5.46 -6.463112424e-04 -6.463112424e-04 5.48 -4.858687964e-04 -4.858687964e-04 5.50 -3.355441406e-04 -3.355441406e-04 5.52 -1.947141466e-04 -1.947141466e-04 5.54 -6.194909546e-05 -6.194909546e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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