# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2AuPd # 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 7.456505895e+02 7.456505895e+02 1.00 6.833091220e+02 6.833091220e+02 1.02 6.268837538e+02 6.268837538e+02 1.04 5.757539532e+02 5.757539532e+02 1.06 5.293698653e+02 5.293698653e+02 1.08 4.872397113e+02 4.872397113e+02 1.10 4.489315682e+02 4.489315682e+02 1.12 4.140570353e+02 4.140570353e+02 1.14 3.822695236e+02 3.822695236e+02 1.16 3.532611984e+02 3.532611984e+02 1.18 3.267559534e+02 3.267559534e+02 1.20 3.025070585e+02 3.025070585e+02 1.22 2.802934802e+02 2.802934802e+02 1.24 2.599201023e+02 2.599201023e+02 1.26 2.412098812e+02 2.412098812e+02 1.28 2.240048133e+02 2.240048133e+02 1.30 2.081622279e+02 2.081622279e+02 1.32 1.935565456e+02 1.935565456e+02 1.34 1.800744846e+02 1.800744846e+02 1.36 1.676134768e+02 1.676134768e+02 1.38 1.560826178e+02 1.560826178e+02 1.40 1.453999217e+02 1.453999217e+02 1.42 1.354906741e+02 1.354906741e+02 1.44 1.262892664e+02 1.262892664e+02 1.46 1.177356888e+02 1.177356888e+02 1.48 1.097759419e+02 1.097759419e+02 1.50 1.023618430e+02 1.023618430e+02 1.52 9.544963655e+01 9.544963655e+01 1.54 8.899946704e+01 8.899946704e+01 1.56 8.297517482e+01 8.297517482e+01 1.58 7.734406219e+01 7.734406219e+01 1.60 7.207747866e+01 7.207747866e+01 1.62 6.714821554e+01 6.714821554e+01 1.64 6.253181516e+01 6.253181516e+01 1.66 5.820640601e+01 5.820640601e+01 1.68 5.415176890e+01 5.415176890e+01 1.70 5.034925714e+01 5.034925714e+01 1.72 4.678164977e+01 4.678164977e+01 1.74 4.343340516e+01 4.343340516e+01 1.76 4.029008368e+01 4.029008368e+01 1.78 3.733785600e+01 3.733785600e+01 1.80 3.456478069e+01 3.456478069e+01 1.82 3.195976357e+01 3.195976357e+01 1.84 2.951226777e+01 2.951226777e+01 1.86 2.721234763e+01 2.721234763e+01 1.88 2.501984005e+01 2.501984005e+01 1.90 2.298519781e+01 2.298519781e+01 1.92 2.107324755e+01 2.107324755e+01 1.94 1.927623060e+01 1.927623060e+01 1.96 1.758781209e+01 1.758781209e+01 1.98 1.600183883e+01 1.600183883e+01 2.00 1.451299459e+01 1.451299459e+01 2.02 1.311610821e+01 1.311610821e+01 2.04 1.180629899e+01 1.180629899e+01 2.06 1.057900532e+01 1.057900532e+01 2.08 9.429881143e+00 9.429881143e+00 2.10 8.354779488e+00 8.354779488e+00 2.12 7.349511743e+00 7.349511743e+00 2.14 6.410662948e+00 6.410662948e+00 2.16 5.534764229e+00 5.534764229e+00 2.18 4.718558032e+00 4.718558032e+00 2.20 3.959041215e+00 3.959041215e+00 2.22 3.253049635e+00 3.253049635e+00 2.24 2.597862887e+00 2.597862887e+00 2.26 1.990831978e+00 1.990831978e+00 2.28 1.429364917e+00 1.429364917e+00 2.30 9.109764208e-01 9.109764208e-01 2.32 4.332772497e-01 4.332772497e-01 2.34 -5.909658733e-03 -5.909658733e-03 2.36 -4.086568171e-01 -4.086568171e-01 2.38 -7.771921920e-01 -7.771921920e-01 2.40 -1.113487511e+00 -1.113487511e+00 2.42 -1.419493245e+00 -1.419493245e+00 2.44 -1.696948699e+00 -1.696948699e+00 2.46 -1.947475830e+00 -1.947475830e+00 2.48 -2.172524259e+00 -2.172524259e+00 2.50 -2.373963381e+00 -2.373963381e+00 2.52 -2.553310133e+00 -2.553310133e+00 2.54 -2.712010329e+00 -2.712010329e+00 2.56 -2.851442942e+00 -2.851442942e+00 2.58 -2.972921979e+00 -2.972921979e+00 2.60 -3.077698243e+00 -3.077698243e+00 2.62 -3.166960934e+00 -3.166960934e+00 2.64 -3.241796181e+00 -3.241796181e+00 2.66 -3.303342133e+00 -3.303342133e+00 2.68 -3.352660404e+00 -3.352660404e+00 2.70 -3.390652733e+00 -3.390652733e+00 2.72 -3.418120958e+00 -3.418120958e+00 2.74 -3.435751641e+00 -3.435751641e+00 2.76 -3.444607540e+00 -3.444607540e+00 2.78 -3.445734725e+00 -3.445734725e+00 2.80 -3.439796295e+00 -3.439796295e+00 2.82 -3.427202863e+00 -3.427202863e+00 2.84 -3.408579971e+00 -3.408579971e+00 2.86 -3.384512589e+00 -3.384512589e+00 2.88 -3.355546503e+00 -3.355546503e+00 2.90 -3.322227689e+00 -3.322227689e+00 2.92 -3.285403976e+00 -3.285403976e+00 2.94 -3.245072525e+00 -3.245072525e+00 2.96 -3.201642910e+00 -3.201642910e+00 2.98 -3.155494475e+00 -3.155494475e+00 3.00 -3.106978071e+00 -3.106978071e+00 3.02 -3.056417650e+00 -3.056417650e+00 3.04 -3.004111883e+00 -3.004111883e+00 3.06 -2.950354630e+00 -2.950354630e+00 3.08 -2.895019409e+00 -2.895019409e+00 3.10 -2.837906384e+00 -2.837906384e+00 3.12 -2.779919249e+00 -2.779919249e+00 3.14 -2.721428833e+00 -2.721428833e+00 3.16 -2.662605673e+00 -2.662605673e+00 3.18 -2.603606263e+00 -2.603606263e+00 3.20 -2.544572937e+00 -2.544572937e+00 3.22 -2.485634222e+00 -2.485634222e+00 3.24 -2.426900518e+00 -2.426900518e+00 3.26 -2.368766925e+00 -2.368766925e+00 3.28 -2.311124119e+00 -2.311124119e+00 3.30 -2.253955131e+00 -2.253955131e+00 3.32 -2.197335026e+00 -2.197335026e+00 3.34 -2.141330787e+00 -2.141330787e+00 3.36 -2.086001409e+00 -2.086001409e+00 3.38 -2.031399258e+00 -2.031399258e+00 3.40 -1.977590352e+00 -1.977590352e+00 3.42 -1.924874286e+00 -1.924874286e+00 3.44 -1.872988542e+00 -1.872988542e+00 3.46 -1.821962320e+00 -1.821962320e+00 3.48 -1.771821860e+00 -1.771821860e+00 3.50 -1.722587005e+00 -1.722587005e+00 3.52 -1.674275238e+00 -1.674275238e+00 3.54 -1.626899293e+00 -1.626899293e+00 3.56 -1.580474138e+00 -1.580474138e+00 3.58 -1.535001015e+00 -1.535001015e+00 3.60 -1.490480971e+00 -1.490480971e+00 3.62 -1.446919024e+00 -1.446919024e+00 3.64 -1.404285994e+00 -1.404285994e+00 3.66 -1.362540548e+00 -1.362540548e+00 3.68 -1.321663848e+00 -1.321663848e+00 3.70 -1.281678346e+00 -1.281678346e+00 3.72 -1.242606671e+00 -1.242606671e+00 3.74 -1.204464164e+00 -1.204464164e+00 3.76 -1.167251656e+00 -1.167251656e+00 3.78 -1.130959370e+00 -1.130959370e+00 3.80 -1.095577093e+00 -1.095577093e+00 3.82 -1.061080331e+00 -1.061080331e+00 3.84 -1.027458229e+00 -1.027458229e+00 3.86 -9.946962637e-01 -9.946962637e-01 3.88 -9.627727829e-01 -9.627727829e-01 3.90 -9.316926947e-01 -9.316926947e-01 3.92 -9.013714944e-01 -9.013714944e-01 3.94 -8.718122688e-01 -8.718122688e-01 3.96 -8.430633320e-01 -8.430633320e-01 3.98 -8.149662223e-01 -8.149662223e-01 4.00 -7.875838437e-01 -7.875838437e-01 4.02 -7.610492487e-01 -7.610492487e-01 4.04 -7.354657474e-01 -7.354657474e-01 4.06 -7.109848230e-01 -7.109848230e-01 4.08 -6.875450603e-01 -6.875450603e-01 4.10 -6.650305747e-01 -6.650305747e-01 4.12 -6.434134564e-01 -6.434134564e-01 4.14 -6.227292858e-01 -6.227292858e-01 4.16 -6.026553777e-01 -6.026553777e-01 4.18 -5.829242958e-01 -5.829242958e-01 4.20 -5.633455909e-01 -5.633455909e-01 4.22 -5.437902805e-01 -5.437902805e-01 4.24 -5.241779490e-01 -5.241779490e-01 4.26 -5.044660675e-01 -5.044660675e-01 4.28 -4.846085582e-01 -4.846085582e-01 4.30 -4.646156891e-01 -4.646156891e-01 4.32 -4.445707757e-01 -4.445707757e-01 4.34 -4.245517029e-01 -4.245517029e-01 4.36 -4.046285694e-01 -4.046285694e-01 4.38 -3.848020954e-01 -3.848020954e-01 4.40 -3.651724382e-01 -3.651724382e-01 4.42 -3.458849226e-01 -3.458849226e-01 4.44 -3.270518527e-01 -3.270518527e-01 4.46 -3.087581414e-01 -3.087581414e-01 4.48 -2.910660714e-01 -2.910660714e-01 4.50 -2.740193126e-01 -2.740193126e-01 4.52 -2.576463074e-01 -2.576463074e-01 4.54 -2.419631186e-01 -2.419631186e-01 4.56 -2.269757066e-01 -2.269757066e-01 4.58 -2.126728310e-01 -2.126728310e-01 4.60 -1.993117342e-01 -1.993117342e-01 4.62 -1.868533662e-01 -1.868533662e-01 4.64 -1.750135103e-01 -1.750135103e-01 4.66 -1.637827593e-01 -1.637827593e-01 4.68 -1.531405919e-01 -1.531405919e-01 4.70 -1.430650841e-01 -1.430650841e-01 4.72 -1.335334438e-01 -1.335334438e-01 4.74 -1.245224142e-01 -1.245224142e-01 4.76 -1.160085981e-01 -1.160085981e-01 4.78 -1.079687157e-01 -1.079687157e-01 4.80 -1.003705593e-01 -1.003705593e-01 4.82 -9.347456461e-02 -9.347456461e-02 4.84 -8.707320205e-02 -8.707320205e-02 4.86 -8.103042241e-02 -8.103042241e-02 4.88 -7.532762175e-02 -7.532762175e-02 4.90 -6.994690402e-02 -6.994690402e-02 4.92 -6.487110205e-02 -6.487110205e-02 4.94 -6.008378755e-02 -6.008378755e-02 4.96 -5.556927138e-02 -5.556927138e-02 4.98 -5.131259688e-02 -5.131259688e-02 5.00 -4.729952769e-02 -4.729952769e-02 5.02 -4.351653160e-02 -4.351653160e-02 5.04 -3.995076095e-02 -3.995076095e-02 5.06 -3.659002983e-02 -3.659002983e-02 5.08 -3.342279022e-02 -3.342279022e-02 5.10 -3.043810710e-02 -3.043810710e-02 5.12 -2.762563295e-02 -2.762563295e-02 5.14 -2.497558178e-02 -2.497558178e-02 5.16 -2.247870307e-02 -2.247870307e-02 5.18 -2.012625626e-02 -2.012625626e-02 5.20 -1.790998580e-02 -1.790998580e-02 5.22 -1.582209684e-02 -1.582209684e-02 5.24 -1.385523133e-02 -1.385523133e-02 5.26 -1.200242804e-02 -1.200242804e-02 5.28 -1.025824657e-02 -1.025824657e-02 5.30 -8.640592975e-03 -8.640592975e-03 5.32 -7.654838231e-03 -7.654838231e-03 5.34 -6.745932502e-03 -6.745932502e-03 5.36 -5.896034105e-03 -5.896034105e-03 5.38 -5.097588670e-03 -5.097588670e-03 5.40 -4.347538696e-03 -4.347538696e-03 5.42 -3.643004771e-03 -3.643004771e-03 5.44 -2.981275331e-03 -2.981275331e-03 5.46 -2.359797065e-03 -2.359797065e-03 5.48 -1.776165871e-03 -1.776165871e-03 5.50 -1.228118348e-03 -1.228118348e-03 5.52 -7.135236369e-04 -7.135236369e-04 5.54 -2.272752976e-04 -2.272752976e-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