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:
SW_LeeHwang_2012LDA_Si__MO_517338295712_001
==== 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 17:32:19      -22.801777         0.374984
BFGS:    1 17:32:19      -22.814514         0.196997
BFGS:    2 17:32:19      -22.821794         0.227995
BFGS:    3 17:32:19      -22.823741         0.227228
BFGS:    4 17:32:19      -22.833292         0.176141
BFGS:    5 17:32:19      -22.840233         0.173343
BFGS:    6 17:32:19      -22.843987         0.169020
BFGS:    7 17:32:19      -22.844767         0.148836
BFGS:    8 17:32:19      -22.845393         0.125951
BFGS:    9 17:32:19      -22.846504         0.087410
BFGS:   10 17:32:19      -22.848191         0.086114
BFGS:   11 17:32:19      -22.849545         0.058925
BFGS:   12 17:32:19      -22.849997         0.018169
BFGS:   13 17:32:19      -22.850048         0.002902
BFGS:   14 17:32:19      -22.850049         0.000237
BFGS:   15 17:32:19      -22.850049         0.000016
BFGS:   16 17:32:19      -22.850049         0.000001
BFGS:   17 17:32:19      -22.850049         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.132963039079479e-09 eV/Angstrom
Maximum stress component: 2.5474596723197477e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81870305 0.81870305 0.        ]
 [0.18129695 0.18129695 0.        ]
 [0.18129695 0.81870305 0.        ]
 [0.81870305 0.18129695 0.        ]
 [0.31870305 0.31870305 0.5       ]
 [0.68129695 0.68129695 0.5       ]
 [0.68129695 0.31870305 0.5       ]
 [0.31870305 0.68129695 0.5       ]]
cellpar =  Cell([[6.587569407664777, -6.417386189885728e-36, -2.2120567880073357e-32], [-6.215180115383111e-36, 6.587569407664777, -9.135779224858163e-18], [-1.0597116942630801e-33, -5.12227332861325e-18, 3.9093375331642597]])
forces =  [[ 4.13296304e-09  4.13296304e-09 -5.73167970e-27]
 [-4.13296304e-09 -4.13296304e-09  5.73165561e-27]
 [-4.13296304e-09  4.13296304e-09 -5.73165561e-27]
 [ 4.13296304e-09 -4.13296304e-09  5.73167970e-27]
 [ 4.13296304e-09  4.13296304e-09 -5.73167970e-27]
 [-4.13296304e-09 -4.13296304e-09  5.73165561e-27]
 [-4.13296304e-09  4.13296304e-09 -5.73165561e-27]
 [ 4.13296304e-09 -4.13296304e-09  5.73167970e-27]]
stress =  [ 1.32921522e-10  1.32921522e-10 -2.54745967e-10  1.07482374e-26
 -4.48707535e-35  9.30987212e-52]
energy per atom =  -2.8562561644404414
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0