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 15:43:03      -37.018452         0.268338
BFGS:    1 15:43:03      -37.021428         0.249343
BFGS:    2 15:43:03      -37.039995         0.003314
BFGS:    3 15:43:03      -37.039998         0.000060
BFGS:    4 15:43:03      -37.039998         0.000000
BFGS:    5 15:43:03      -37.039998         0.000000
Minimization converged after 5 steps.
Maximum force component: 8.925549913338717e-32 eV/Angstrom
Maximum stress component: 2.7857963684343828e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[6.76814407e-44 0.00000000e+00 5.78224630e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.24560698e-33]
 [5.00000000e-01 3.21375465e-34 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, -1.6546904855626273e-34, 4.5995467870212907e-35], [-1.891339001763337e-34, 5.430949778405206, -7.760025001339926e-20], [3.570604438561575e-34, -7.760025001339881e-20, 5.430949778405206]])
forces =  [[ 8.92554991e-32  3.34708122e-32 -8.15851047e-32]
 [-1.28365701e-66  2.78978271e-52 -1.95246404e-32]
 [ 1.11569374e-32  2.85896521e-32 -2.30111834e-32]
 [ 1.11569374e-32 -4.46277496e-32  6.41523900e-32]
 [-1.67354061e-32  3.48654293e-33  3.48654293e-33]
 [ 5.57846870e-33  5.02062183e-32  2.78923435e-32]
 [-6.69416244e-32 -2.37084920e-32  4.49764039e-32]
 [ 2.78923435e-33 -3.90492809e-32 -3.90492809e-32]]
stress =  [-2.78579637e-15 -2.78579637e-15 -2.78579637e-15  5.61166678e-31
 -3.48247205e-35  7.93221038e-51]
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