element(s):
['Al', 'Au']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0428']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[6.0428, 0, 0], [0, 6.0428, 0], [0, 0, 6.0428]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:55      -37.469942         0.946973
BFGS:    1 15:04:55      -37.507775         0.917428
BFGS:    2 15:04:55      -37.637183         0.807878
BFGS:    3 15:04:56      -37.750082         0.697224
BFGS:    4 15:04:56      -37.846297         0.585579
BFGS:    5 15:04:56      -37.925811         0.475137
BFGS:    6 15:04:56      -37.989147         0.370929
BFGS:    7 15:04:56      -38.037717         0.279152
BFGS:    8 15:04:56      -38.073666         0.202576
BFGS:    9 15:04:56      -38.099060         0.137252
BFGS:   10 15:04:56      -38.114987         0.074888
BFGS:   11 15:04:56      -38.121293         0.007970
BFGS:   12 15:04:56      -38.121359         0.000538
BFGS:   13 15:04:56      -38.121360         0.000004
BFGS:   14 15:04:56      -38.121360         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.2178399226816325e-31 eV/Angstrom
Maximum stress component: 9.475734293592893e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Au', 'Au', 'Au', 'Au']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.17070238e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[6.304206166025346, 1.4148758846750606e-32, -1.5343295340534899e-32], [2.295163609121011e-32, 6.304206166025346, -2.6421371071113694e-17], [-3.146652697371025e-32, -2.6421371071113703e-17, 6.304206166025346]])
forces =  [[ 1.21414594e-32  9.14656610e-32  1.74837016e-31]
 [ 2.26640576e-32 -1.41650360e-32  2.03167088e-31]
 [-1.29508901e-32  3.92573855e-32 -1.62695556e-31]
 [ 7.44676178e-32  7.28487566e-33 -1.01988259e-31]
 [-2.26640576e-32  6.47544503e-32 -2.21783992e-31]
 [-3.23772251e-33 -1.26675893e-31 -1.71599293e-31]
 [ 6.47544503e-33 -8.82279385e-32  1.52172958e-31]
 [-8.66090773e-32  7.87930128e-33  9.18703764e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-9.47573429e-11 -9.47573429e-11 -9.47573429e-11  5.52621788e-27
  3.87676662e-34  2.36417548e-50]
energy per atom =  -3.1767799736193134
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0