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_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== 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 17:19:56      -34.074365        2.1967
BFGS:    1 17:19:56      -34.332052        0.7182
BFGS:    2 17:19:56      -34.342703        0.6416
BFGS:    3 17:19:56      -34.364607        0.4103
BFGS:    4 17:19:56      -34.379551        0.2656
BFGS:    5 17:19:56      -34.387809        0.1417
BFGS:    6 17:19:56      -34.389411        0.0916
BFGS:    7 17:19:56      -34.389963        0.1002
BFGS:    8 17:19:56      -34.390688        0.0954
BFGS:    9 17:19:56      -34.391813        0.0853
BFGS:   10 17:19:56      -34.392710        0.0641
BFGS:   11 17:19:56      -34.393000        0.0201
BFGS:   12 17:19:56      -34.393030        0.0021
BFGS:   13 17:19:56      -34.393031        0.0001
BFGS:   14 17:19:56      -34.393031        0.0000
BFGS:   15 17:19:56      -34.393031        0.0000
BFGS:   16 17:19:56      -34.393031        0.0000
BFGS:   17 17:19:56      -34.393031        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.4254007436610384e-09 eV/Angstrom
Maximum stress component: 7.411561078522132e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81817088 0.81817088 0.        ]
 [0.18182912 0.18182912 0.        ]
 [0.18182912 0.81817088 0.        ]
 [0.81817088 0.18182912 0.        ]
 [0.31817088 0.31817088 0.5       ]
 [0.68182912 0.68182912 0.5       ]
 [0.68182912 0.31817088 0.5       ]
 [0.31817088 0.68182912 0.5       ]]
cellpar =  Cell([[6.71435221716444, -9.5471441283553e-36, 5.2699812364510045e-36], [-1.0794553818126345e-36, 6.71435221716444, 2.875250574763095e-19], [-5.282214154604528e-33, 1.526105886167435e-19, 3.941051939718548]])
forces =  [[ 2.42540074e-09  2.42540074e-09  1.03958773e-28]
 [-2.42540074e-09 -2.42540074e-09 -1.03837330e-28]
 [-2.42540074e-09  2.42540074e-09  1.03813041e-28]
 [ 2.42540074e-09 -2.42540074e-09 -1.03958773e-28]
 [ 2.42540074e-09  2.42540074e-09  1.03910196e-28]
 [-2.42540074e-09 -2.42540074e-09 -1.03861618e-28]
 [-2.42540074e-09  2.42540074e-09  1.03861618e-28]
 [ 2.42540074e-09 -2.42540074e-09 -1.03910196e-28]]
stress =  [ 7.41156108e-11  7.41156108e-11 -2.52074608e-11 -8.47335367e-27
  1.10977465e-43 -2.94341453e-60]
energy per atom =  -4.2991288613339735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0