element(s):
['Au', 'Cu']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9689', '1.1393782']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.9689, 0, 0], [0, 2.9689, 0], [0, 0, 3.3827]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:30:45      -32.496832       14.5416
BFGS:    1 16:30:45      -34.204780       10.4092
BFGS:    2 16:30:45      -35.058021        4.6304
BFGS:    3 16:30:45      -35.377329        5.3205
BFGS:    4 16:30:45      -35.616341        7.3658
BFGS:    5 16:30:45      -35.810136        7.3590
BFGS:    6 16:30:45      -35.966289        5.3676
BFGS:    7 16:30:45      -36.098806        1.4771
BFGS:    8 16:30:45      -36.109869        0.1296
BFGS:    9 16:30:45      -36.110019        0.0038
BFGS:   10 16:30:45      -36.110019        0.0000
BFGS:   11 16:30:45      -36.110019        0.0000
BFGS:   12 16:30:45      -36.110019        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.447036481215306e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6153007190675823, -5.910904376884943e-34, -2.2702874009481498e-33], [-2.236284375581422e-34, 2.6153007190675828, 4.869211641196603e-17], [-8.593057271684088e-33, 5.911959399398711e-17, 3.6695718797337795]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.44703648e-13 -6.44703648e-13  1.47799694e-13  2.91496610e-29
 -2.19109245e-45  9.23057775e-61]
energy per atom =  -18.055009502263133
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0