element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tI12_140_h_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.054', '0.80492237', '0.15849647']
model name:
Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.15849647 0.65849647 0.        ]
 [0.         0.         0.25      ]]
spacegroup =  140
cell =  [[6.054, 0, 0], [0, 6.054, 0], [0, 0, 4.873]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:04:55      -42.997533         0.702400
BFGS:    1 16:04:55      -43.058971         0.676611
BFGS:    2 16:04:56      -43.242289         0.452933
BFGS:    3 16:04:56      -43.277479         0.277845
BFGS:    4 16:04:57      -43.280579         0.250588
BFGS:    5 16:04:57      -43.296729         0.160962
BFGS:    6 16:04:58      -43.304916         0.190496
BFGS:    7 16:04:59      -43.308149         0.176337
BFGS:    8 16:04:59      -43.309077         0.152557
BFGS:    9 16:05:00      -43.309768         0.128626
BFGS:   10 16:05:01      -43.310948         0.093175
BFGS:   11 16:05:01      -43.313068         0.048587
BFGS:   12 16:05:02      -43.315411         0.037596
BFGS:   13 16:05:02      -43.316811         0.023156
BFGS:   14 16:05:02      -43.317223         0.008508
BFGS:   15 16:05:03      -43.317249         0.000982
BFGS:   16 16:05:03      -43.317249         0.000093
BFGS:   17 16:05:03      -43.317249         0.000010
BFGS:   18 16:05:03      -43.317249         0.000001
BFGS:   19 16:05:04      -43.317249         0.000000
BFGS:   20 16:05:04      -43.317249         0.000000
Minimization converged after 20 steps.
Maximum force component: 6.305430378132292e-09 eV/Angstrom
Maximum stress component: 3.7519917445165825e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[1.67112636e-01 6.67112636e-01 1.56964135e-34]
 [8.32887364e-01 3.32887364e-01 0.00000000e+00]
 [3.32887364e-01 1.67112636e-01 0.00000000e+00]
 [6.67112636e-01 8.32887364e-01 0.00000000e+00]
 [8.32887364e-01 6.67112636e-01 5.00000000e-01]
 [1.67112636e-01 3.32887364e-01 5.00000000e-01]
 [6.67112636e-01 1.67112636e-01 5.00000000e-01]
 [3.32887364e-01 8.32887364e-01 5.00000000e-01]
 [7.33546762e-17 1.00000000e+00 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50000000e-01]
 [7.33546762e-17 1.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.935029378895445, -2.160923989916719e-38, 5.642233611455351e-32], [3.66794777033566e-38, 5.935029378895441, 1.0317284721695397e-17], [1.0370126543071083e-32, 8.270193211566589e-18, 4.907949044230649]])
forces =  [[ 6.30543038e-09  6.30543038e-09  1.09612094e-26]
 [-6.30543038e-09 -6.30543038e-09 -1.09611943e-26]
 [-6.30543038e-09  6.30543038e-09  1.09611943e-26]
 [ 6.30543038e-09 -6.30543038e-09 -1.09612094e-26]
 [-6.30543038e-09  6.30543038e-09  1.09611990e-26]
 [ 6.30543038e-09 -6.30543038e-09 -1.09612094e-26]
 [ 6.30543038e-09  6.30543038e-09  1.09612075e-26]
 [-6.30543038e-09 -6.30543038e-09 -1.09611943e-26]
 [ 2.55643357e-64  2.03876003e-49  1.20990285e-31]
 [-1.53386014e-63 -1.22325602e-48 -7.25941711e-31]
 [-1.53386014e-63 -1.22325602e-48 -7.25941711e-31]
 [-1.15039510e-63 -9.17442015e-49 -5.44456283e-31]]
stress =  [ 2.68107854e-10  2.68107854e-10  3.75199174e-10 -3.86796168e-26
 -7.93412089e-35  8.47106337e-51]
energy per atom =  -3.6097618749696783
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0