# 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 = AuFeTa2 # 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 3.489267914e+02 3.489267914e+02 1.30 3.227498000e+02 3.227498000e+02 1.32 2.985739061e+02 2.985739061e+02 1.34 2.762354996e+02 2.762354996e+02 1.36 2.555809171e+02 2.555809171e+02 1.38 2.364681955e+02 2.364681955e+02 1.40 2.187682930e+02 2.187682930e+02 1.42 2.023650365e+02 2.023650365e+02 1.44 1.871541797e+02 1.871541797e+02 1.46 1.730421701e+02 1.730421701e+02 1.48 1.599449233e+02 1.599449233e+02 1.50 1.477865861e+02 1.477865861e+02 1.52 1.364981989e+02 1.364981989e+02 1.54 1.260163324e+02 1.260163324e+02 1.56 1.162819684e+02 1.162819684e+02 1.58 1.072398786e+02 1.072398786e+02 1.60 9.883852504e+01 9.883852504e+01 1.62 9.103022171e+01 9.103022171e+01 1.64 8.377122382e+01 8.377122382e+01 1.66 7.702155817e+01 7.702155817e+01 1.68 7.074462220e+01 7.074462220e+01 1.70 6.490669354e+01 6.490669354e+01 1.72 5.947648782e+01 5.947648782e+01 1.74 5.442483407e+01 5.442483407e+01 1.76 4.972446457e+01 4.972446457e+01 1.78 4.534987490e+01 4.534987490e+01 1.80 4.127721586e+01 4.127721586e+01 1.82 3.748421289e+01 3.748421289e+01 1.84 3.395012512e+01 3.395012512e+01 1.86 3.066080383e+01 3.066080383e+01 1.88 2.760386730e+01 2.760386730e+01 1.90 2.476412442e+01 2.476412442e+01 1.92 2.213607379e+01 2.213607379e+01 1.94 1.970645132e+01 1.970645132e+01 1.96 1.746166249e+01 1.746166249e+01 1.98 1.538918218e+01 1.538918218e+01 2.00 1.347735197e+01 1.347735197e+01 2.02 1.171519592e+01 1.171519592e+01 2.04 1.009229133e+01 1.009229133e+01 2.06 8.598718596e+00 8.598718596e+00 2.08 7.225080458e+00 7.225080458e+00 2.10 5.962554852e+00 5.962554852e+00 2.12 4.802942898e+00 4.802942898e+00 2.14 3.738688122e+00 3.738688122e+00 2.16 2.762861103e+00 2.762861103e+00 2.18 1.869115627e+00 1.869115627e+00 2.20 1.051626439e+00 1.051626439e+00 2.22 3.050177602e-01 3.050177602e-01 2.24 -3.757110310e-01 -3.757110310e-01 2.26 -9.952580914e-01 -9.952580914e-01 2.28 -1.558085485e+00 -1.558085485e+00 2.30 -2.068472748e+00 -2.068472748e+00 2.32 -2.530549812e+00 -2.530549812e+00 2.34 -2.948302910e+00 -2.948302910e+00 2.36 -3.325552256e+00 -3.325552256e+00 2.38 -3.665907974e+00 -3.665907974e+00 2.40 -3.972717642e+00 -3.972717642e+00 2.42 -4.249021620e+00 -4.249021620e+00 2.44 -4.497529343e+00 -4.497529343e+00 2.46 -4.720622453e+00 -4.720622453e+00 2.48 -4.920382358e+00 -4.920382358e+00 2.50 -5.098630736e+00 -5.098630736e+00 2.52 -5.256775683e+00 -5.256775683e+00 2.54 -5.396372608e+00 -5.396372608e+00 2.56 -5.519016767e+00 -5.519016767e+00 2.58 -5.626152709e+00 -5.626152709e+00 2.60 -5.719102768e+00 -5.719102768e+00 2.62 -5.799080001e+00 -5.799080001e+00 2.64 -5.867189350e+00 -5.867189350e+00 2.66 -5.924363285e+00 -5.924363285e+00 2.68 -5.971037612e+00 -5.971037612e+00 2.70 -6.007485114e+00 -6.007485114e+00 2.72 -6.033994507e+00 -6.033994507e+00 2.74 -6.050851646e+00 -6.050851646e+00 2.76 -6.058329753e+00 -6.058329753e+00 2.78 -6.056686950e+00 -6.056686950e+00 2.80 -6.046168930e+00 -6.046168930e+00 2.82 -6.027014965e+00 -6.027014965e+00 2.84 -5.999465661e+00 -5.999465661e+00 2.86 -5.963770974e+00 -5.963770974e+00 2.88 -5.920197116e+00 -5.920197116e+00 2.90 -5.869031189e+00 -5.869031189e+00 2.92 -5.810582816e+00 -5.810582816e+00 2.94 -5.745183389e+00 -5.745183389e+00 2.96 -5.673244758e+00 -5.673244758e+00 2.98 -5.595104633e+00 -5.595104633e+00 3.00 -5.511054542e+00 -5.511054542e+00 3.02 -5.421400686e+00 -5.421400686e+00 3.04 -5.326450111e+00 -5.326450111e+00 3.06 -5.226502682e+00 -5.226502682e+00 3.08 -5.121852203e+00 -5.121852203e+00 3.10 -5.012787066e+00 -5.012787066e+00 3.12 -4.899595130e+00 -4.899595130e+00 3.14 -4.782569549e+00 -4.782569549e+00 3.16 -4.662025798e+00 -4.662025798e+00 3.18 -4.538321225e+00 -4.538321225e+00 3.20 -4.411859500e+00 -4.411859500e+00 3.22 -4.283045618e+00 -4.283045618e+00 3.24 -4.152353672e+00 -4.152353672e+00 3.26 -4.020356901e+00 -4.020356901e+00 3.28 -3.887715794e+00 -3.887715794e+00 3.30 -3.755155707e+00 -3.755155707e+00 3.32 -3.623435138e+00 -3.623435138e+00 3.34 -3.493307432e+00 -3.493307432e+00 3.36 -3.365479960e+00 -3.365479960e+00 3.38 -3.240575497e+00 -3.240575497e+00 3.40 -3.119100228e+00 -3.119100228e+00 3.42 -3.001421733e+00 -3.001421733e+00 3.44 -2.887758664e+00 -2.887758664e+00 3.46 -2.778182056e+00 -2.778182056e+00 3.48 -2.672626735e+00 -2.672626735e+00 3.50 -2.570910292e+00 -2.570910292e+00 3.52 -2.472756764e+00 -2.472756764e+00 3.54 -2.377822359e+00 -2.377822359e+00 3.56 -2.285721052e+00 -2.285721052e+00 3.58 -2.196048626e+00 -2.196048626e+00 3.60 -2.108404336e+00 -2.108404336e+00 3.62 -2.022409893e+00 -2.022409893e+00 3.64 -1.937725816e+00 -1.937725816e+00 3.66 -1.854065278e+00 -1.854065278e+00 3.68 -1.771205564e+00 -1.771205564e+00 3.70 -1.688997086e+00 -1.688997086e+00 3.72 -1.607369734e+00 -1.607369734e+00 3.74 -1.526336134e+00 -1.526336134e+00 3.76 -1.445991303e+00 -1.445991303e+00 3.78 -1.366508237e+00 -1.366508237e+00 3.80 -1.288129150e+00 -1.288129150e+00 3.82 -1.211152454e+00 -1.211152454e+00 3.84 -1.135916016e+00 -1.135916016e+00 3.86 -1.062777728e+00 -1.062777728e+00 3.88 -9.920948268e-01 -9.920948268e-01 3.90 -9.242036490e-01 -9.242036490e-01 3.92 -8.594015009e-01 -8.594015009e-01 3.94 -7.979320806e-01 -7.979320806e-01 3.96 -7.399754325e-01 -7.399754325e-01 3.98 -6.856428663e-01 -6.856428663e-01 4.00 -6.349766946e-01 -6.349766946e-01 4.02 -5.879541709e-01 -5.879541709e-01 4.04 -5.444946908e-01 -5.444946908e-01 4.06 -5.044691690e-01 -5.044691690e-01 4.08 -4.677105227e-01 -4.677105227e-01 4.10 -4.340243242e-01 -4.340243242e-01 4.12 -4.031988972e-01 -4.031988972e-01 4.14 -3.750143284e-01 -3.750143284e-01 4.16 -3.492501280e-01 -3.492501280e-01 4.18 -3.256913907e-01 -3.256913907e-01 4.20 -3.041334736e-01 -3.041334736e-01 4.22 -2.843852782e-01 -2.843852782e-01 4.24 -2.662712745e-01 -2.662712745e-01 4.26 -2.496324323e-01 -2.496324323e-01 4.28 -2.343262352e-01 -2.343262352e-01 4.30 -2.202259585e-01 -2.202259585e-01 4.32 -2.072193974e-01 -2.072193974e-01 4.34 -1.952072337e-01 -1.952072337e-01 4.36 -1.841012250e-01 -1.841012250e-01 4.38 -1.738223841e-01 -1.738223841e-01 4.40 -1.642992943e-01 -1.642992943e-01 4.42 -1.554666630e-01 -1.554666630e-01 4.44 -1.472641270e-01 -1.472641270e-01 4.46 -1.396352922e-01 -1.396352922e-01 4.48 -1.325276839e-01 -1.325276839e-01 4.50 -1.258920165e-01 -1.258920165e-01 4.52 -1.196819955e-01 -1.196819955e-01 4.54 -1.138542797e-01 -1.138542797e-01 4.56 -1.083681409e-01 -1.083681409e-01 4.58 -1.031861657e-01 -1.031861657e-01 4.60 -9.827415565e-02 -9.827415565e-02 4.62 -9.360063821e-02 -9.360063821e-02 4.64 -8.913688094e-02 -8.913688094e-02 4.66 -8.485686194e-02 -8.485686194e-02 4.68 -8.073721849e-02 -8.073721849e-02 4.70 -7.675719194e-02 -7.675719194e-02 4.72 -7.289858265e-02 -7.289858265e-02 4.74 -6.914572405e-02 -6.914572405e-02 4.76 -6.548547940e-02 -6.548547940e-02 4.78 -6.190725934e-02 -6.190725934e-02 4.80 -5.840305211e-02 -5.840305211e-02 4.82 -5.496745736e-02 -5.496745736e-02 4.84 -5.159769737e-02 -5.159769737e-02 4.86 -4.829359476e-02 -4.829359476e-02 4.88 -4.505748689e-02 -4.505748689e-02 4.90 -4.189406355e-02 -4.189406355e-02 4.92 -3.881010632e-02 -3.881010632e-02 4.94 -3.581412390e-02 -3.581412390e-02 4.96 -3.291588648e-02 -3.291588648e-02 4.98 -3.012588266e-02 -3.012588266e-02 5.00 -2.745471409e-02 -2.745471409e-02 5.02 -2.491247725e-02 -2.491247725e-02 5.04 -2.250817905e-02 -2.250817905e-02 5.06 -2.024922875e-02 -2.024922875e-02 5.08 -1.814104442e-02 -1.814104442e-02 5.10 -1.618658639e-02 -1.618658639e-02 5.12 -1.438657866e-02 -1.438657866e-02 5.14 -1.273974149e-02 -1.273974149e-02 5.16 -1.124259427e-02 -1.124259427e-02 5.18 -9.889737051e-03 -9.889737051e-03 5.20 -8.674197032e-03 -8.674197032e-03 5.22 -7.587804697e-03 -7.587804697e-03 5.24 -6.621569249e-03 -6.621569249e-03 5.26 -5.766029342e-03 -5.766029342e-03 5.28 -5.011562606e-03 -5.011562606e-03 5.30 -4.348644569e-03 -4.348644569e-03 5.32 -3.768053746e-03 -3.768053746e-03 5.34 -3.261024358e-03 -3.261024358e-03 5.36 -2.819351381e-03 -2.819351381e-03 5.38 -2.435454449e-03 -2.435454449e-03 5.40 -2.102407944e-03 -2.102407944e-03 5.42 -1.813944493e-03 -1.813944493e-03 5.44 -1.564438608e-03 -1.564438608e-03 5.46 -1.348876255e-03 -1.348876255e-03 5.48 -1.162815252e-03 -1.162815252e-03 5.50 -1.002340337e-03 -1.002340337e-03 5.52 -8.640159228e-04 -8.640159228e-04 5.54 -7.448387297e-04 -7.448387297e-04 5.56 -6.421918541e-04 -6.421918541e-04 5.58 -5.538013130e-04 -5.538013130e-04 5.60 -4.776956927e-04 -4.776956927e-04 5.62 -4.121692276e-04 -4.121692276e-04 5.64 -3.557484122e-04 -3.557484122e-04 5.66 -3.071620977e-04 -3.071620977e-04 5.68 -2.653149161e-04 -2.653149161e-04 5.70 -2.292638165e-04 -2.292638165e-04 5.72 -1.981974584e-04 -1.981974584e-04 5.74 -1.714181968e-04 -1.714181968e-04 5.76 -1.483263906e-04 -1.483263906e-04 5.78 -1.284067783e-04 -1.284067783e-04 5.80 -1.112166792e-04 -1.112166792e-04 5.82 -9.637579808e-05 -9.637579808e-05 5.84 -8.355743073e-05 -8.355743073e-05 5.86 -7.248088947e-05 -7.248088947e-05 5.88 -6.290498729e-05 -6.290498729e-05 5.90 -5.462243821e-05 -5.462243821e-05 5.92 -4.745504859e-05 -4.745504859e-05 5.94 -4.124959028e-05 -4.124959028e-05 5.96 -3.587426055e-05 -3.587426055e-05 5.98 -3.121564633e-05 -3.121564633e-05 6.00 -2.717612148e-05 -2.717612148e-05