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:
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_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 16:21:35       -9.973047         1.220186
BFGS:    1 16:21:35      -10.030309         1.093400
BFGS:    2 16:21:35      -10.131496         0.281557
BFGS:    3 16:21:35      -10.135673         0.128077
BFGS:    4 16:21:35      -10.135936         0.081897
BFGS:    5 16:21:35      -10.136136         0.051117
BFGS:    6 16:21:35      -10.136502         0.045843
BFGS:    7 16:21:35      -10.136652         0.022675
BFGS:    8 16:21:35      -10.136684         0.005324
BFGS:    9 16:21:35      -10.136686         0.000649
BFGS:   10 16:21:35      -10.136686         0.000021
BFGS:   11 16:21:35      -10.136686         0.000001
BFGS:   12 16:21:35      -10.136686         0.000000
BFGS:   13 16:21:35      -10.136686         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.929460962786712e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[3.99157497e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.72274366e-35 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.017609182960256, -5.235473633199435e-35, -4.245651045460988e-36], [5.092682986019979e-35, 4.017609182960256, -8.703058034743201e-20], [-7.678361833945101e-34, -4.6865927546570944e-20, 2.8254090933506433]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.26956546e-11 -2.26956546e-11 -2.92946096e-11 -1.39570727e-26
 -5.42926997e-34 -4.70439129e-50]
energy per atom =  -3.378895253092758
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0