# 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 = AuPdPt2 # 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 1.161949441e+03 1.161949441e+03 1.00 1.068046266e+03 1.068046266e+03 1.02 9.825619934e+02 9.825619934e+02 1.04 9.046401951e+02 9.046401951e+02 1.06 8.335244462e+02 8.335244462e+02 1.08 7.685440861e+02 7.685440861e+02 1.10 7.091020449e+02 7.091020449e+02 1.12 6.546678551e+02 6.546678551e+02 1.14 6.047679505e+02 6.047679505e+02 1.16 5.589784921e+02 5.589784921e+02 1.18 5.169206179e+02 5.169206179e+02 1.20 4.782548499e+02 4.782548499e+02 1.22 4.426758094e+02 4.426758094e+02 1.24 4.099084624e+02 4.099084624e+02 1.26 3.797056550e+02 3.797056550e+02 1.28 3.518446643e+02 3.518446643e+02 1.30 3.261241008e+02 3.261241008e+02 1.32 3.023612991e+02 3.023612991e+02 1.34 2.803913936e+02 2.803913936e+02 1.36 2.600650363e+02 2.600650363e+02 1.38 2.412466962e+02 2.412466962e+02 1.40 2.238132752e+02 2.238132752e+02 1.42 2.076524602e+02 2.076524602e+02 1.44 1.926620421e+02 1.926620421e+02 1.46 1.787490000e+02 1.787490000e+02 1.48 1.658284813e+02 1.658284813e+02 1.50 1.538231294e+02 1.538231294e+02 1.52 1.426621654e+02 1.426621654e+02 1.54 1.322809280e+02 1.322809280e+02 1.56 1.226199967e+02 1.226199967e+02 1.58 1.136247590e+02 1.136247590e+02 1.60 1.052453157e+02 1.052453157e+02 1.62 9.743594448e+01 9.743594448e+01 1.64 9.015471732e+01 9.015471732e+01 1.66 8.336305631e+01 8.336305631e+01 1.68 7.702546154e+01 7.702546154e+01 1.70 7.110924093e+01 7.110924093e+01 1.72 6.558426587e+01 6.558426587e+01 1.74 6.042274098e+01 6.042274098e+01 1.76 5.559903104e+01 5.559903104e+01 1.78 5.108950596e+01 5.108950596e+01 1.80 4.687215798e+01 4.687215798e+01 1.82 4.292674959e+01 4.292674959e+01 1.84 3.923460004e+01 3.923460004e+01 1.86 3.577842128e+01 3.577842128e+01 1.88 3.254886138e+01 3.254886138e+01 1.90 2.953710411e+01 2.953710411e+01 1.92 2.672781719e+01 2.672781719e+01 1.94 2.411677527e+01 2.411677527e+01 1.96 2.168872754e+01 2.168872754e+01 1.98 1.943232065e+01 1.943232065e+01 2.00 1.733686433e+01 1.733686433e+01 2.02 1.539232838e+01 1.539232838e+01 2.04 1.358928161e+01 1.358928161e+01 2.06 1.191881194e+01 1.191881194e+01 2.08 1.037245812e+01 1.037245812e+01 2.10 8.942420675e+00 8.942420675e+00 2.12 7.621169588e+00 7.621169588e+00 2.14 6.401779303e+00 6.401779303e+00 2.16 5.277756444e+00 5.277756444e+00 2.18 4.242984567e+00 4.242984567e+00 2.20 3.291737121e+00 3.291737121e+00 2.22 2.418517917e+00 2.418517917e+00 2.24 1.618261629e+00 1.618261629e+00 2.26 8.861874579e-01 8.861874579e-01 2.28 2.181899498e-01 2.181899498e-01 2.30 -3.903355375e-01 -3.903355375e-01 2.32 -9.435965189e-01 -9.435965189e-01 2.34 -1.445209770e+00 -1.445209770e+00 2.36 -1.898724739e+00 -1.898724739e+00 2.38 -2.307476278e+00 -2.307476278e+00 2.40 -2.674587689e+00 -2.674587689e+00 2.42 -3.002851094e+00 -3.002851094e+00 2.44 -3.294901175e+00 -3.294901175e+00 2.46 -3.553624138e+00 -3.553624138e+00 2.48 -3.781459092e+00 -3.781459092e+00 2.50 -3.980693312e+00 -3.980693312e+00 2.52 -4.153470816e+00 -4.153470816e+00 2.54 -4.301793847e+00 -4.301793847e+00 2.56 -4.427079071e+00 -4.427079071e+00 2.58 -4.531551295e+00 -4.531551295e+00 2.60 -4.616874161e+00 -4.616874161e+00 2.62 -4.684590410e+00 -4.684590410e+00 2.64 -4.736142106e+00 -4.736142106e+00 2.66 -4.773142683e+00 -4.773142683e+00 2.68 -4.796791165e+00 -4.796791165e+00 2.70 -4.807774377e+00 -4.807774377e+00 2.72 -4.807392556e+00 -4.807392556e+00 2.74 -4.796731815e+00 -4.796731815e+00 2.76 -4.776729966e+00 -4.776729966e+00 2.78 -4.749330736e+00 -4.749330736e+00 2.80 -4.714956313e+00 -4.714956313e+00 2.82 -4.673664682e+00 -4.673664682e+00 2.84 -4.626160940e+00 -4.626160940e+00 2.86 -4.573102371e+00 -4.573102371e+00 2.88 -4.515099373e+00 -4.515099373e+00 2.90 -4.452747381e+00 -4.452747381e+00 2.92 -4.386856304e+00 -4.386856304e+00 2.94 -4.317506440e+00 -4.317506440e+00 2.96 -4.244142691e+00 -4.244142691e+00 2.98 -4.167979845e+00 -4.167979845e+00 3.00 -4.089765899e+00 -4.089765899e+00 3.02 -4.009842371e+00 -4.009842371e+00 3.04 -3.928532901e+00 -3.928532901e+00 3.06 -3.846154774e+00 -3.846154774e+00 3.08 -3.762700558e+00 -3.762700558e+00 3.10 -3.678022679e+00 -3.678022679e+00 3.12 -3.592928593e+00 -3.592928593e+00 3.14 -3.507765269e+00 -3.507765269e+00 3.16 -3.422713590e+00 -3.422713590e+00 3.18 -3.337942813e+00 -3.337942813e+00 3.20 -3.253606286e+00 -3.253606286e+00 3.22 -3.169842411e+00 -3.169842411e+00 3.24 -3.086757540e+00 -3.086757540e+00 3.26 -3.005409871e+00 -3.005409871e+00 3.28 -2.925231013e+00 -2.925231013e+00 3.30 -2.845982542e+00 -2.845982542e+00 3.32 -2.767745751e+00 -2.767745751e+00 3.34 -2.690593854e+00 -2.690593854e+00 3.36 -2.614591351e+00 -2.614591351e+00 3.38 -2.539794226e+00 -2.539794226e+00 3.40 -2.466262714e+00 -2.466262714e+00 3.42 -2.394186998e+00 -2.394186998e+00 3.44 -2.323432772e+00 -2.323432772e+00 3.46 -2.254029856e+00 -2.254029856e+00 3.48 -2.186001885e+00 -2.186001885e+00 3.50 -2.119367056e+00 -2.119367056e+00 3.52 -2.054140380e+00 -2.054140380e+00 3.54 -1.990336825e+00 -1.990336825e+00 3.56 -1.927952263e+00 -1.927952263e+00 3.58 -1.866994315e+00 -1.866994315e+00 3.60 -1.807476606e+00 -1.807476606e+00 3.62 -1.749311161e+00 -1.749311161e+00 3.64 -1.692388199e+00 -1.692388199e+00 3.66 -1.636693853e+00 -1.636693853e+00 3.68 -1.582327168e+00 -1.582327168e+00 3.70 -1.529343888e+00 -1.529343888e+00 3.72 -1.477724764e+00 -1.477724764e+00 3.74 -1.427415233e+00 -1.427415233e+00 3.76 -1.378408309e+00 -1.378408309e+00 3.78 -1.330706880e+00 -1.330706880e+00 3.80 -1.284308377e+00 -1.284308377e+00 3.82 -1.239192669e+00 -1.239192669e+00 3.84 -1.195346225e+00 -1.195346225e+00 3.86 -1.152757687e+00 -1.152757687e+00 3.88 -1.111392733e+00 -1.111392733e+00 3.90 -1.071211352e+00 -1.071211352e+00 3.92 -1.032201031e+00 -1.032201031e+00 3.94 -9.943535228e-01 -9.943535228e-01 3.96 -9.576603083e-01 -9.576603083e-01 3.98 -9.220726631e-01 -9.220726631e-01 4.00 -8.874258770e-01 -8.874258770e-01 4.02 -8.537332081e-01 -8.537332081e-01 4.04 -8.210725024e-01 -8.210725024e-01 4.06 -7.894995802e-01 -7.894995802e-01 4.08 -7.590517315e-01 -7.590517315e-01 4.10 -7.297508113e-01 -7.297508113e-01 4.12 -7.016101989e-01 -7.016101989e-01 4.14 -6.747601206e-01 -6.747601206e-01 4.16 -6.491268380e-01 -6.491268380e-01 4.18 -6.244261873e-01 -6.244261873e-01 4.20 -6.004359918e-01 -6.004359918e-01 4.22 -5.769917945e-01 -5.769917945e-01 4.24 -5.539756420e-01 -5.539756420e-01 4.26 -5.313066980e-01 -5.313066980e-01 4.28 -5.089334186e-01 -5.089334186e-01 4.30 -4.868270571e-01 -4.868270571e-01 4.32 -4.649763046e-01 -4.649763046e-01 4.34 -4.433828828e-01 -4.433828828e-01 4.36 -4.220571478e-01 -4.220571478e-01 4.38 -4.009334780e-01 -4.009334780e-01 4.40 -3.800637445e-01 -3.800637445e-01 4.42 -3.595853946e-01 -3.595853946e-01 4.44 -3.396053461e-01 -3.396053461e-01 4.46 -3.202043793e-01 -3.202043793e-01 4.48 -3.014416108e-01 -3.014416108e-01 4.50 -2.833582839e-01 -2.833582839e-01 4.52 -2.659809751e-01 -2.659809751e-01 4.54 -2.493243012e-01 -2.493243012e-01 4.56 -2.333928967e-01 -2.333928967e-01 4.58 -2.181585607e-01 -2.181585607e-01 4.60 -2.043371485e-01 -2.043371485e-01 4.62 -1.918470470e-01 -1.918470470e-01 4.64 -1.799395299e-01 -1.799395299e-01 4.66 -1.686210448e-01 -1.686210448e-01 4.68 -1.578716226e-01 -1.578716226e-01 4.70 -1.476702412e-01 -1.476702412e-01 4.72 -1.379953036e-01 -1.379953036e-01 4.74 -1.288249441e-01 -1.288249441e-01 4.76 -1.201372757e-01 -1.201372757e-01 4.78 -1.119105875e-01 -1.119105875e-01 4.80 -1.041204700e-01 -1.041204700e-01 4.82 -9.683885494e-02 -9.683885494e-02 4.84 -8.998474445e-02 -8.998474445e-02 4.86 -8.350071656e-02 -8.350071656e-02 4.88 -7.736826192e-02 -7.736826192e-02 4.90 -7.156954708e-02 -7.156954708e-02 4.92 -6.608743492e-02 -6.608743492e-02 4.94 -6.090549498e-02 -6.090549498e-02 4.96 -5.600800480e-02 -5.600800480e-02 4.98 -5.137994466e-02 -5.137994466e-02 5.00 -4.700698713e-02 -4.700698713e-02 5.02 -4.287548324e-02 -4.287548324e-02 5.04 -3.897244518e-02 -3.897244518e-02 5.06 -3.528552532e-02 -3.528552532e-02 5.08 -3.180299488e-02 -3.180299488e-02 5.10 -2.851372121e-02 -2.851372121e-02 5.12 -2.540714454e-02 -2.540714454e-02 5.14 -2.247325408e-02 -2.247325408e-02 5.16 -1.970256394e-02 -1.970256394e-02 5.18 -1.708608950e-02 -1.708608950e-02 5.20 -1.461532422e-02 -1.461532422e-02 5.22 -1.228221695e-02 -1.228221695e-02 5.24 -1.007914941e-02 -1.007914941e-02 5.26 -7.998877358e-03 -7.998877358e-03 5.28 -6.037020500e-03 -6.037020500e-03 5.30 -4.240015428e-03 -4.240015428e-03 5.32 -3.724093879e-03 -3.724093879e-03 5.34 -3.276883580e-03 -3.276883580e-03 5.36 -2.865244639e-03 -2.865244639e-03 5.38 -2.478199821e-03 -2.478199821e-03 5.40 -2.114327461e-03 -2.114327461e-03 5.42 -1.772285106e-03 -1.772285106e-03 5.44 -1.450805256e-03 -1.450805256e-03 5.46 -1.148691345e-03 -1.148691345e-03 5.48 -8.648139446e-04 -8.648139446e-04 5.50 -5.981071620e-04 -5.981071620e-04 5.52 -3.475651749e-04 -3.475651749e-04 5.54 -1.107283195e-04 -1.107283195e-04 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 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00