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:
MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_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 17:32:08      -34.379306         0.928048
BFGS:    1 17:32:08      -34.409320         0.902342
BFGS:    2 17:32:08      -34.438498         0.794200
BFGS:    3 17:32:08      -34.461416         0.627789
BFGS:    4 17:32:08      -34.484266         0.418602
BFGS:    5 17:32:08      -34.501855         0.217594
BFGS:    6 17:32:08      -34.509880         0.166391
BFGS:    7 17:32:08      -34.511028         0.148606
BFGS:    8 17:32:08      -34.512602         0.107970
BFGS:    9 17:32:08      -34.514160         0.101087
BFGS:   10 17:32:08      -34.516216         0.090346
BFGS:   11 17:32:08      -34.517149         0.038762
BFGS:   12 17:32:08      -34.517319         0.005160
BFGS:   13 17:32:09      -34.517326         0.000610
BFGS:   14 17:32:09      -34.517326         0.000047
BFGS:   15 17:32:09      -34.517326         0.000004
BFGS:   16 17:32:09      -34.517326         0.000000
BFGS:   17 17:32:09      -34.517326         0.000000
BFGS:   18 17:32:09      -34.517326         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.08498943695661e-09 eV/Angstrom
Maximum stress component: 7.39639709665444e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81966829 0.81966829 0.        ]
 [0.18033171 0.18033171 0.        ]
 [0.18033171 0.81966829 0.        ]
 [0.81966829 0.18033171 0.        ]
 [0.31966829 0.31966829 0.5       ]
 [0.68033171 0.68033171 0.5       ]
 [0.68033171 0.31966829 0.5       ]
 [0.31966829 0.68033171 0.5       ]]
cellpar =  Cell([[6.667945645279293, 1.3720071645756869e-36, 2.1808824935922907e-32], [-4.3349071889014105e-36, 6.667945645279294, 1.0763732507563006e-18], [1.7335540550895602e-33, 5.746808272739829e-19, 3.9823789786827333]])
forces =  [[-1.08498944e-09 -1.08498944e-09 -1.75070810e-28]
 [ 1.08498944e-09  1.08498944e-09  1.75144440e-28]
 [ 1.08498944e-09 -1.08498944e-09 -1.75095354e-28]
 [-1.08498944e-09  1.08498944e-09  1.75070810e-28]
 [-1.08498944e-09 -1.08498944e-09 -1.75095354e-28]
 [ 1.08498944e-09  1.08498944e-09  1.75150576e-28]
 [ 1.08498944e-09 -1.08498944e-09 -1.75132169e-28]
 [-1.08498944e-09  1.08498944e-09  1.75119897e-28]]
stress =  [-7.39639710e-12 -7.39639710e-12  6.80239490e-13 -3.88028861e-28
  5.80224195e-35 -1.02890875e-50]
energy per atom =  -4.3146657773915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0