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_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_001
==== 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 16:21:10       -9.931297         0.103244
BFGS:    1 16:21:10       -9.931592         0.096099
BFGS:    2 16:21:10       -9.933690         0.092040
BFGS:    3 16:21:10       -9.933809         0.089884
BFGS:    4 16:21:10       -9.935609         0.005996
BFGS:    5 16:21:10       -9.935614         0.000355
BFGS:    6 16:21:10       -9.935614         0.000001
BFGS:    7 16:21:10       -9.935614         0.000000
BFGS:    8 16:21:10       -9.935614         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.669138776910162e-12 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([[4.082280042930124, 1.3647867937617746e-37, -3.5781688963305987e-37], [1.5980540145977796e-37, 4.082280042930125, -3.7785271446202415e-18], [-1.5019797441787736e-33, -2.654122189589256e-18, 2.9281434155229253]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.66276864e-12  1.66276864e-12  3.66913878e-12  2.48461899e-29
 -1.03115825e-33  1.49827204e-50]
energy per atom =  -3.3118713170344676
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0