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 13:47:08      -42.997533         0.702400
BFGS:    1 13:47:08      -43.058971         0.676611
BFGS:    2 13:47:08      -43.242289         0.452933
BFGS:    3 13:47:09      -43.277479         0.277845
BFGS:    4 13:47:09      -43.280579         0.250588
BFGS:    5 13:47:09      -43.296729         0.160962
BFGS:    6 13:47:09      -43.304916         0.190496
BFGS:    7 13:47:09      -43.308149         0.176337
BFGS:    8 13:47:10      -43.309077         0.152557
BFGS:    9 13:47:10      -43.309768         0.128626
BFGS:   10 13:47:10      -43.310948         0.093175
BFGS:   11 13:47:10      -43.313068         0.048587
BFGS:   12 13:47:10      -43.315411         0.037596
BFGS:   13 13:47:11      -43.316811         0.023156
BFGS:   14 13:47:11      -43.317223         0.008508
BFGS:   15 13:47:11      -43.317249         0.000982
BFGS:   16 13:47:11      -43.317249         0.000093
BFGS:   17 13:47:12      -43.317249         0.000010
BFGS:   18 13:47:12      -43.317249         0.000001
BFGS:   19 13:47:12      -43.317249         0.000000
BFGS:   20 13:47:12      -43.317249         0.000000
Minimization converged after 20 steps.
Maximum force component: 6.305433089830346e-09 eV/Angstrom
Maximum stress component: 3.7520110439700856e-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 0.00000000e+00]
 [8.32887364e-01 3.32887364e-01 3.92410338e-35]
 [3.32887364e-01 1.67112636e-01 0.00000000e+00]
 [6.67112636e-01 8.32887364e-01 1.56964135e-34]
 [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([[5.935029378895447, -3.3041396663906103e-37, 1.1514972855174096e-32], [1.2591812913756898e-37, 5.935029378895444, -3.1588463709535426e-18], [-6.099360037765034e-33, -2.5200807318383866e-18, 4.907949044230652]])
forces =  [[ 6.30543309e-09  6.30543309e-09 -3.35598919e-27]
 [-6.30543309e-09 -6.30543309e-09  3.35595894e-27]
 [-6.30543309e-09  6.30543309e-09 -3.35595894e-27]
 [ 6.30543309e-09 -6.30543309e-09  3.35598919e-27]
 [-6.30543309e-09  6.30543309e-09 -3.35595894e-27]
 [ 6.30543309e-09 -6.30543309e-09  3.35598919e-27]
 [ 6.30543309e-09  6.30543309e-09 -3.35598919e-27]
 [-6.30543309e-09 -6.30543309e-09  3.35595894e-27]
 [ 2.25541639e-64  1.82887213e-32 -1.81485428e-31]
 [ 3.75901114e-64 -4.57218032e-32 -3.02475713e-31]
 [ 3.65774426e-32  1.82887213e-32  1.20990285e-31]
 [ 5.26262336e-64 -2.74330819e-32 -4.23465998e-31]]
stress =  [2.68109154e-10 2.68109154e-10 3.75201104e-10 1.63321321e-25
 1.05788279e-34 3.72670690e-50]
energy per atom =  -3.609761874969679
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0