element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:34      -11.406497        19.362449
BFGS:    1 09:47:34      -13.307922        14.533300
BFGS:    2 09:47:34      -14.761644        10.125093
BFGS:    3 09:47:34      -15.792238         6.166317
BFGS:    4 09:47:34      -16.398255         2.836549
BFGS:    5 09:47:34      -16.629890         0.772887
BFGS:    6 09:47:34      -16.649105         0.285190
BFGS:    7 09:47:34      -16.652992         0.433010
BFGS:    8 09:47:34      -16.660496         0.565643
BFGS:    9 09:47:34      -16.669794         0.529214
BFGS:   10 09:47:34      -16.676263         0.278291
BFGS:   11 09:47:34      -16.678117         0.059626
BFGS:   12 09:47:34      -16.678283         0.003649
BFGS:   13 09:47:34      -16.678285         0.000393
BFGS:   14 09:47:34      -16.678285         0.000011
BFGS:   15 09:47:34      -16.678285         0.000000
BFGS:   16 09:47:34      -16.678285         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.39820466825202e-32 eV/Angstrom
Maximum stress component: 1.7502037037072956e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 2.26183921e-33 1.97342627e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [4.09357629e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[5.188412735453549, 9.254503282333127e-36, -4.353906546582883e-37], [-2.3846310067331015e-35, 5.188412735453551, 7.40639625651249e-18], [9.470223597818622e-36, 4.056586435798168e-18, 2.7447907421627065]])
forces =  [[ 1.19910233e-32 -2.39820467e-32 -1.69160790e-32]
 [ 1.59880311e-32 -1.19910233e-32 -1.26870592e-32]
 [ 7.99401556e-33  1.59880311e-32  4.22901975e-33]
 [-2.18867846e-68 -9.37524155e-51 -6.34352962e-33]]
stress =  [-1.75020370e-11 -1.75020370e-11 -8.27296266e-13  9.76328251e-28
 -1.08189899e-34  7.59433531e-51]
energy per atom =  -4.169571281246693
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0