element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6513', '0.93471127']
model name:
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:09       -2.670201         5.112434
BFGS:    1 15:32:09       -2.871817         1.006966
BFGS:    2 15:32:09       -2.881406         0.133377
BFGS:    3 15:32:09       -2.881633         0.033693
BFGS:    4 15:32:09       -2.881645         0.011680
BFGS:    5 15:32:09       -2.881647         0.000178
BFGS:    6 15:32:09       -2.881647         0.000005
BFGS:    7 15:32:09       -2.881647         0.000000
BFGS:    8 15:32:09       -2.881647         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.993720908873033e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7580669487551184, 2.712980145125789e-17, -1.6271441748287193e-36], [-1.3790334743775592, 2.388556042960165, -5.455747166179671e-38], [-1.1496904330956019e-35, 3.0470113385536115e-37, 2.519749421652793]])
forces =  [[0. 0. 0.]]
stress =  [-1.22003837e-12 -1.22003837e-12  7.99372091e-12  1.55989512e-47
  3.49535710e-48 -1.58884950e-28]
energy per atom =  -2.881646555327445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0