element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tP3_123_e_a
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:
['4.1364', '0.69686201']
model name:
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  123
cell =  [[4.1364, 0, 0], [0, 4.1364, 0], [0, 0, 2.8825]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:42:30      -10.213073        0.7813
BFGS:    1 15:42:30      -10.226738        0.6794
BFGS:    2 15:42:30      -10.264217        0.2068
BFGS:    3 15:42:30      -10.267703        0.0126
BFGS:    4 15:42:31      -10.267723        0.0041
BFGS:    5 15:42:32      -10.267724        0.0037
BFGS:    6 15:42:32      -10.267731        0.0008
BFGS:    7 15:42:34      -10.267731        0.0002
BFGS:    8 15:42:35      -10.267731        0.0000
BFGS:    9 15:42:37      -10.267731        0.0000
BFGS:   10 15:42:40      -10.267731        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.700428569019741e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.  0.  0. ]]
cellpar =  Cell([[4.073084779809225, -5.811689281759715e-36, -9.626577859281147e-34], [2.5209352599911913e-36, 4.073084779809225, -1.0565219681411483e-19], [7.264843882212301e-37, -7.319774619811229e-20, 2.8026410213453876]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.70042857e-11  4.70042857e-11  3.76204953e-11 -1.02106192e-26
 -6.74853575e-35  9.82934245e-51]
energy per atom =  -3.422568097495866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0