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_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005
==== 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 15:43:03      -34.671019         0.251322
BFGS:    1 15:43:03      -34.673637         0.234661
BFGS:    2 15:43:03      -34.691199         0.001932
BFGS:    3 15:43:03      -34.691200         0.000035
BFGS:    4 15:43:03      -34.691200         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.231387478632183e-31 eV/Angstrom
Maximum stress component: 2.531860109697458e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.   0.5 ]
 [0.75 0.25 0.75]
 [0.25 0.25 0.25]
 [0.25 0.75 0.75]
 [0.75 0.75 0.25]]
cellpar =  Cell([[5.430949779129297, 4.539148795293277e-33, -6.5527629486947705e-34], [2.6478340941684908e-33, 5.430949779129297, 2.18333410908774e-21], [1.7865035937490384e-37, 2.183334109076014e-21, 5.430949779129297]])
forces =  [[ 5.57846870e-32 -6.69416244e-32 -4.46277496e-32]
 [ 5.57846870e-32 -2.23138748e-31 -1.11569374e-31]
 [-2.23138748e-32 -1.11569374e-31 -8.92554991e-32]
 [-4.46277496e-32  8.92554991e-32 -2.23138748e-32]
 [-6.69416244e-32  6.69416244e-32  5.85739213e-32]
 [-6.13631557e-32 -2.23138748e-32  6.69416244e-32]
 [-2.09192576e-31  1.98035639e-31  1.50618655e-31]
 [ 1.11569374e-31 -1.05990905e-31 -6.69416244e-32]]
stress =  [ 2.53186011e-10  2.53186011e-10  2.53186011e-10  8.45242509e-27
 -7.32128846e-61  1.19876285e-59]
energy per atom =  -4.336399999917266
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0