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:
ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000
==== 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 17:21:29      -36.611922        0.9550
BFGS:    1 17:21:29      -36.680833        0.8873
BFGS:    2 17:21:29      -36.748997        0.6753
BFGS:    3 17:21:29      -36.772706        0.6065
BFGS:    4 17:21:29      -36.833438        0.4565
BFGS:    5 17:21:29      -36.884424        0.3166
BFGS:    6 17:21:29      -36.921825        0.3021
BFGS:    7 17:21:29      -36.944156        0.4360
BFGS:    8 17:21:29      -36.953044        0.5168
BFGS:    9 17:21:29      -36.958546        0.5130
BFGS:   10 17:21:29      -36.974366        0.4224
BFGS:   11 17:21:29      -36.986776        0.2824
BFGS:   12 17:21:29      -36.995249        0.1011
BFGS:   13 17:21:29      -36.997007        0.0184
BFGS:   14 17:21:29      -36.997118        0.0034
BFGS:   15 17:21:29      -36.997125        0.0006
BFGS:   16 17:21:29      -36.997125        0.0000
BFGS:   17 17:21:29      -36.997125        0.0000
BFGS:   18 17:21:29      -36.997125        0.0000
BFGS:   19 17:21:29      -36.997125        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.7353748972922687e-09 eV/Angstrom
Maximum stress component: 8.801648242964541e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.82069465 0.82069465 0.        ]
 [0.17930535 0.17930535 0.        ]
 [0.17930535 0.82069465 0.        ]
 [0.82069465 0.17930535 0.        ]
 [0.32069465 0.32069465 0.5       ]
 [0.67930535 0.67930535 0.5       ]
 [0.67930535 0.32069465 0.5       ]
 [0.32069465 0.67930535 0.5       ]]
cellpar =  Cell([[6.387133805222393, -3.673946186959792e-36, 1.51035163593e-34], [-6.423232909530902e-37, 6.387133805222393, 4.464046634202504e-18], [5.784887448753077e-33, 2.6620874999463735e-18, 3.959935511291014]])
forces =  [[ 2.73537490e-09  2.73537490e-09  1.91178727e-27]
 [-2.73537490e-09 -2.73537490e-09 -1.91178422e-27]
 [-2.73537490e-09  2.73537490e-09  1.91181168e-27]
 [ 2.73537490e-09 -2.73537490e-09 -1.91179947e-27]
 [ 2.73537490e-09  2.73537490e-09  1.91183084e-27]
 [-2.73537490e-09 -2.73537490e-09 -1.91171406e-27]
 [-2.73537490e-09  2.73537490e-09  1.91173846e-27]
 [ 2.73537490e-09 -2.73537490e-09 -1.91183608e-27]]
stress =  [ 8.80164824e-11  8.80164824e-11 -4.60003988e-11  2.55034587e-27
 -1.21833394e-34  1.67721472e-50]
energy per atom =  -4.624640642049608
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0