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:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== 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 17:06:49      -44.444998         0.319381
BFGS:    1 17:06:49      -44.449312         0.310906
BFGS:    2 17:06:49      -44.489485         0.224847
BFGS:    3 17:06:50      -44.516155         0.132087
BFGS:    4 17:06:50      -44.528805         0.036000
BFGS:    5 17:06:50      -44.529730         0.001939
BFGS:    6 17:06:51      -44.529733         0.000367
BFGS:    7 17:06:51      -44.529733         0.000005
BFGS:    8 17:06:51      -44.529733         0.000000
BFGS:    9 17:06:52      -44.529733         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.588435842746467e-31 eV/Angstrom
Maximum stress component: 6.697095523667024e-14 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.29341023e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.46705113e-35]]
cellpar =  Cell([[5.95613025297027, -1.9296384781290175e-32, -4.664218747355157e-33], [-1.466949517195039e-32, 5.95613025297027, -3.946125677141124e-18], [2.1065601235913593e-32, -3.9461256771411476e-18, 5.95613025297027]])
forces =  [[ 3.97664440e-32  4.03782354e-31 -7.57091914e-32]
 [ 2.21774399e-32 -3.34191077e-31  1.45300468e-32]
 [ 9.94161099e-33  4.58843584e-31 -2.14127006e-32]
 [-3.05895723e-32 -3.24249466e-31  2.29421792e-31]
 [ 3.67074867e-32  2.66129279e-31 -6.11791446e-32]
 [-8.79450203e-32 -2.49305014e-31  3.36485295e-32]
 [-6.42381018e-32 -2.08773831e-31  2.21774399e-32]
 [-2.37069185e-32  2.01891177e-31 -1.80478476e-31]
 [ 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 =  [-6.69709552e-14 -6.69709552e-14 -6.69709552e-14 -4.06875140e-30
 -6.65166418e-62  5.63733511e-62]
energy per atom =  -3.7108111239573787
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0