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 13:57:04      -37.469942        0.9470
BFGS:    1 13:57:04      -37.507775        0.9174
BFGS:    2 13:57:04      -37.637183        0.8079
BFGS:    3 13:57:04      -37.750082        0.6972
BFGS:    4 13:57:04      -37.846297        0.5856
BFGS:    5 13:57:04      -37.925811        0.4751
BFGS:    6 13:57:04      -37.989147        0.3709
BFGS:    7 13:57:04      -38.037717        0.2792
BFGS:    8 13:57:04      -38.073666        0.2026
BFGS:    9 13:57:04      -38.099060        0.1373
BFGS:   10 13:57:05      -38.114987        0.0749
BFGS:   11 13:57:05      -38.121293        0.0080
BFGS:   12 13:57:05      -38.121359        0.0005
BFGS:   13 13:57:05      -38.121360        0.0000
BFGS:   14 13:57:05      -38.121360        0.0000
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