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_2012GGA_Si__MO_040570764911_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 16:31:32      -21.440253         0.808282
BFGS:    1 16:31:32      -21.498924         0.381610
BFGS:    2 16:31:32      -21.515652         0.419845
BFGS:    3 16:31:32      -21.519625         0.408255
BFGS:    4 16:31:32      -21.531761         0.321323
BFGS:    5 16:31:32      -21.541835         0.192769
BFGS:    6 16:31:32      -21.547592         0.118198
BFGS:    7 16:31:32      -21.549087         0.096476
BFGS:    8 16:31:32      -21.549521         0.077377
BFGS:    9 16:31:32      -21.550056         0.056457
BFGS:   10 16:31:32      -21.551223         0.078205
BFGS:   11 16:31:32      -21.552841         0.084149
BFGS:   12 16:31:32      -21.554128         0.049615
BFGS:   13 16:31:32      -21.554491         0.011730
BFGS:   14 16:31:32      -21.554520         0.001496
BFGS:   15 16:31:32      -21.554521         0.000062
BFGS:   16 16:31:32      -21.554521         0.000007
BFGS:   17 16:31:32      -21.554521         0.000000
BFGS:   18 16:31:32      -21.554521         0.000000
BFGS:   19 16:31:32      -21.554521         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.5923845249555427e-09 eV/Angstrom
Maximum stress component: 1.7913691504765891e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18574130e-01 8.18574130e-01 1.94529611e-34]
 [1.81425870e-01 1.81425870e-01 0.00000000e+00]
 [1.81425870e-01 8.18574130e-01 1.94529611e-34]
 [8.18574130e-01 1.81425870e-01 0.00000000e+00]
 [3.18574130e-01 3.18574130e-01 5.00000000e-01]
 [6.81425870e-01 6.81425870e-01 5.00000000e-01]
 [6.81425870e-01 3.18574130e-01 5.00000000e-01]
 [3.18574130e-01 6.81425870e-01 5.00000000e-01]]
cellpar =  Cell([[6.691231412041313, 2.9391323277350806e-36, -1.4652850691326002e-33], [1.1948715513066232e-36, 6.691231412041314, 7.38527900022101e-18], [1.8393651330735608e-32, 4.284803754678588e-18, 3.9601784825018984]])
forces =  [[-2.59238452e-09 -2.59238452e-09 -2.86127336e-27]
 [ 2.59238452e-09  2.59238452e-09  2.86127946e-27]
 [ 2.59238452e-09 -2.59238452e-09 -2.86127946e-27]
 [-2.59238452e-09  2.59238452e-09  2.86127946e-27]
 [-2.59238452e-09 -2.59238452e-09 -2.86126726e-27]
 [ 2.59238452e-09  2.59238452e-09  2.86127336e-27]
 [ 2.59238452e-09 -2.59238452e-09 -2.86127946e-27]
 [-2.59238452e-09  2.59238452e-09  2.86127946e-27]]
stress =  [ 1.77780061e-11  1.77780061e-11  1.79136915e-10  2.72106180e-26
 -5.81446367e-35 -7.90433272e-51]
energy per atom =  -2.6943150744960467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0