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 17:19:39      -34.379306        0.9280
BFGS:    1 17:19:39      -34.409320        0.9023
BFGS:    2 17:19:39      -34.438498        0.7942
BFGS:    3 17:19:39      -34.461416        0.6278
BFGS:    4 17:19:39      -34.484266        0.4186
BFGS:    5 17:19:39      -34.501855        0.2176
BFGS:    6 17:19:39      -34.509880        0.1664
BFGS:    7 17:19:39      -34.511028        0.1486
BFGS:    8 17:19:39      -34.512602        0.1080
BFGS:    9 17:19:39      -34.514160        0.1011
BFGS:   10 17:19:39      -34.516216        0.0903
BFGS:   11 17:19:39      -34.517149        0.0388
BFGS:   12 17:19:39      -34.517319        0.0052
BFGS:   13 17:19:39      -34.517326        0.0006
BFGS:   14 17:19:39      -34.517326        0.0000
BFGS:   15 17:19:39      -34.517326        0.0000
BFGS:   16 17:19:39      -34.517326        0.0000
BFGS:   17 17:19:39      -34.517326        0.0000
BFGS:   18 17:19:39      -34.517326        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.0849940967757028e-09 eV/Angstrom
Maximum stress component: 7.39737086352926e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19668290e-01 8.19668290e-01 1.35411619e-33]
 [1.80331710e-01 1.80331710e-01 0.00000000e+00]
 [1.80331710e-01 8.19668290e-01 1.35411619e-33]
 [8.19668290e-01 1.80331710e-01 0.00000000e+00]
 [3.19668290e-01 3.19668290e-01 5.00000000e-01]
 [6.80331710e-01 6.80331710e-01 5.00000000e-01]
 [6.80331710e-01 3.19668290e-01 5.00000000e-01]
 [3.19668290e-01 6.80331710e-01 5.00000000e-01]]
cellpar =  Cell([[6.667945645279292, -3.1402814359659014e-36, 2.4937011366958357e-32], [-1.2994243040043868e-36, 6.667945645279291, -6.212386068666611e-18], [3.1321970894877587e-32, -3.664459427970926e-18, 3.9823789786827297]])
forces =  [[-1.0849941e-09 -1.0849941e-09  1.0108664e-27]
 [ 1.0849941e-09  1.0849941e-09 -1.0108664e-27]
 [ 1.0849941e-09 -1.0849941e-09  1.0108664e-27]
 [-1.0849941e-09  1.0849941e-09 -1.0108664e-27]
 [-1.0849941e-09 -1.0849941e-09  1.0108664e-27]
 [ 1.0849941e-09  1.0849941e-09 -1.0108664e-27]
 [ 1.0849941e-09 -1.0849941e-09  1.0108664e-27]
 [-1.0849941e-09  1.0849941e-09 -1.0108664e-27]]
stress =  [-7.39737086e-12 -7.39737086e-12  6.78616728e-13  4.49972991e-29
 -1.74067259e-34 -1.15419146e-50]
energy per atom =  -4.3146657773914985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0