element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:38:38      -67.509278         1.175591
BFGS:    1 16:38:38      -67.776655         0.781546
BFGS:    2 16:38:38      -67.970100         0.335440
BFGS:    3 16:38:38      -67.978552         0.314782
BFGS:    4 16:38:38      -67.985607         0.291775
BFGS:    5 16:38:38      -68.015437         0.168404
BFGS:    6 16:38:38      -68.034798         0.152096
BFGS:    7 16:38:38      -68.043575         0.066077
BFGS:    8 16:38:38      -68.044703         0.010739
BFGS:    9 16:38:38      -68.044757         0.000999
BFGS:   10 16:38:38      -68.044758         0.000046
BFGS:   11 16:38:38      -68.044758         0.000002
BFGS:   12 16:38:38      -68.044758         0.000000
BFGS:   13 16:38:38      -68.044758         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.4732259602375263e-10 eV/Angstrom
Maximum stress component: 7.55436157655911e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.09714067 0.09714067 0.09714067]
 [0.40285933 0.90285933 0.59714067]
 [0.90285933 0.59714067 0.40285933]
 [0.59714067 0.40285933 0.90285933]
 [0.59714067 0.59714067 0.59714067]
 [0.90285933 0.40285933 0.09714067]
 [0.40285933 0.09714067 0.90285933]
 [0.09714067 0.90285933 0.40285933]
 [0.90285933 0.90285933 0.90285933]
 [0.59714067 0.09714067 0.40285933]
 [0.09714067 0.40285933 0.59714067]
 [0.40285933 0.59714067 0.09714067]
 [0.40285933 0.40285933 0.40285933]
 [0.09714067 0.59714067 0.90285933]
 [0.59714067 0.90285933 0.09714067]
 [0.90285933 0.09714067 0.59714067]]
cellpar =  Cell([[6.723836249853635, 2.2691181688146832e-37, 0.0], [5.170966160258464e-36, 6.723836249853635, 0.0], [0.0, 0.0, 6.723836249853635]])
forces =  [[ 1.47322596e-10  1.47322596e-10  1.47322596e-10]
 [-1.47322596e-10 -1.47322596e-10  1.47322596e-10]
 [-1.47322596e-10  1.47322596e-10 -1.47322596e-10]
 [ 1.47322596e-10 -1.47322596e-10 -1.47322596e-10]
 [ 1.47322596e-10  1.47322596e-10  1.47322596e-10]
 [-1.47322596e-10 -1.47322596e-10  1.47322596e-10]
 [-1.47322596e-10  1.47322596e-10 -1.47322596e-10]
 [ 1.47322596e-10 -1.47322596e-10 -1.47322596e-10]
 [-1.47322596e-10 -1.47322596e-10 -1.47322596e-10]
 [ 1.47322596e-10  1.47322596e-10 -1.47322596e-10]
 [ 1.47322596e-10 -1.47322596e-10  1.47322596e-10]
 [-1.47322596e-10  1.47322596e-10  1.47322596e-10]
 [-1.47322596e-10 -1.47322596e-10 -1.47322596e-10]
 [ 1.47322596e-10  1.47322596e-10 -1.47322596e-10]
 [ 1.47322596e-10 -1.47322596e-10  1.47322596e-10]
 [-1.47322596e-10  1.47322596e-10  1.47322596e-10]]
stress =  [-7.55436158e-12 -7.55436158e-12 -7.55436158e-12  0.00000000e+00
  0.00000000e+00 -1.81758590e-34]
energy per atom =  -4.252797354040334
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0