element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:21:29      -35.710999        0.5813
BFGS:    1 17:21:29      -35.740809        0.2702
BFGS:    2 17:21:29      -35.752360        0.2735
BFGS:    3 17:21:29      -35.754849        0.2582
BFGS:    4 17:21:29      -35.764404        0.1985
BFGS:    5 17:21:29      -35.767106        0.2333
BFGS:    6 17:21:29      -35.768589        0.2211
BFGS:    7 17:21:29      -35.770009        0.1933
BFGS:    8 17:21:29      -35.773308        0.1262
BFGS:    9 17:21:29      -35.777275        0.1395
BFGS:   10 17:21:29      -35.780012        0.0811
BFGS:   11 17:21:29      -35.780697        0.0201
BFGS:   12 17:21:29      -35.780753        0.0027
BFGS:   13 17:21:29      -35.780754        0.0002
BFGS:   14 17:21:29      -35.780754        0.0000
BFGS:   15 17:21:29      -35.780754        0.0000
BFGS:   16 17:21:29      -35.780754        0.0000
BFGS:   17 17:21:29      -35.780754        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.1657964164705116e-09 eV/Angstrom
Maximum stress component: 7.634614928341468e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18111969e-01 8.18111969e-01 3.94072282e-34]
 [1.81888031e-01 1.81888031e-01 0.00000000e+00]
 [1.81888031e-01 8.18111969e-01 2.95554212e-34]
 [8.18111969e-01 1.81888031e-01 0.00000000e+00]
 [3.18111969e-01 3.18111969e-01 5.00000000e-01]
 [6.81888031e-01 6.81888031e-01 5.00000000e-01]
 [6.81888031e-01 3.18111969e-01 5.00000000e-01]
 [3.18111969e-01 6.81888031e-01 5.00000000e-01]]
cellpar =  Cell([[6.591095335343205, -1.5874129730095682e-36, 3.2765442335092246e-33], [4.2611738163749345e-36, 6.591095335343203, -2.1904791227403842e-18], [-9.437514030071823e-34, -1.2957958270898229e-18, 3.9098003720659933]])
forces =  [[-2.16579642e-09 -2.16579642e-09  7.19778973e-28]
 [ 2.16579642e-09  2.16579642e-09 -7.19778973e-28]
 [ 2.16579642e-09 -2.16579642e-09  7.19778973e-28]
 [-2.16579642e-09  2.16579642e-09 -7.19778973e-28]
 [-2.16579642e-09 -2.16579642e-09  7.19778973e-28]
 [ 2.16579642e-09  2.16579642e-09 -7.19778973e-28]
 [ 2.16579642e-09 -2.16579642e-09  7.19778973e-28]
 [-2.16579642e-09  2.16579642e-09 -7.19778973e-28]]
stress =  [-2.34288253e-11 -2.34288253e-11  7.63461493e-11  1.84476410e-26
 -2.39154351e-34 -5.21994306e-50]
energy per atom =  -4.472594253018528
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0