element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:28:24      -37.018452         0.268338
BFGS:    1 16:28:24      -37.021428         0.249343
BFGS:    2 16:28:24      -37.039995         0.003314
BFGS:    3 16:28:24      -37.039998         0.000060
BFGS:    4 16:28:25      -37.039998         0.000000
BFGS:    5 16:28:25      -37.039998         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.1239424696685515e-31 eV/Angstrom
Maximum stress component: 2.822553403851233e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[5.13581318e-34 0.00000000e+00 6.65315599e-34]
 [1.47654629e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.45755673e-34]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.430949778405206, 5.1690522203334904e-39, -2.0854342063169277e-34], [-8.406640780140574e-36, 5.430949778405206, -1.3516450007312583e-19], [2.7368192636926707e-34, -1.3516450007312603e-19, 5.430949778405206]])
forces =  [[-4.46277496e-32 -1.45040186e-31 -3.34708122e-32]
 [ 4.46277496e-32 -4.46277496e-32 -8.92554991e-32]
 [ 4.46277496e-32  6.13631557e-32 -1.50618655e-31]
 [ 2.23138748e-32  4.46277496e-32 -3.34708122e-32]
 [-1.56197123e-31  2.00824873e-31  9.76232022e-32]
 [ 1.00412437e-31 -3.12394247e-31 -6.69416244e-32]
 [-1.38764409e-31  1.39461717e-31  4.46277496e-32]
 [ 2.23138748e-32  1.00412437e-31  6.69416244e-32]]
stress =  [-2.82255340e-15 -2.82255340e-15 -2.82255340e-15  5.17871607e-31
  1.71943855e-64 -1.38539700e-66]
energy per atom =  -4.6299997999116735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0