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_KP_KaxirasPandey_1988_Si__MO_072486242437_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 09:48:37      -36.730808         1.012594
BFGS:    1 09:48:37      -36.783615         0.997709
BFGS:    2 09:48:37      -36.894769         0.892173
BFGS:    3 09:48:37      -36.957909         0.741782
BFGS:    4 09:48:37      -37.004752         0.555740
BFGS:    5 09:48:37      -37.044575         0.450477
BFGS:    6 09:48:37      -37.075062         0.529454
BFGS:    7 09:48:37      -37.085468         0.483477
BFGS:    8 09:48:37      -37.091050         0.402661
BFGS:    9 09:48:37      -37.098610         0.281145
BFGS:   10 09:48:37      -37.109707         0.227727
BFGS:   11 09:48:37      -37.119824         0.185999
BFGS:   12 09:48:37      -37.126283         0.070749
BFGS:   13 09:48:37      -37.127147         0.022873
BFGS:   14 09:48:37      -37.127228         0.002857
BFGS:   15 09:48:37      -37.127230         0.000215
BFGS:   16 09:48:37      -37.127230         0.000013
BFGS:   17 09:48:37      -37.127230         0.000001
BFGS:   18 09:48:37      -37.127230         0.000000
BFGS:   19 09:48:37      -37.127230         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.3405779630370868e-09 eV/Angstrom
Maximum stress component: 9.57365513883273e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.17305745e-01 8.17305745e-01 0.00000000e+00]
 [1.82694255e-01 1.82694255e-01 7.36892939e-35]
 [1.82694255e-01 8.17305745e-01 0.00000000e+00]
 [8.17305745e-01 1.82694255e-01 2.45630980e-34]
 [3.17305745e-01 3.17305745e-01 5.00000000e-01]
 [6.82694255e-01 6.82694255e-01 5.00000000e-01]
 [6.82694255e-01 3.17305745e-01 5.00000000e-01]
 [3.17305745e-01 6.82694255e-01 5.00000000e-01]]
cellpar =  Cell([[6.410209755524466, 1.616722426027513e-35, 1.4611607519905857e-32], [2.500194199084152e-35, 6.410209755524467, -4.687729874049631e-18], [-1.0597011343753828e-32, -2.9862592205013325e-18, 3.9203726390717173]])
forces =  [[-1.34057796e-09 -1.34057796e-09  9.80328683e-28]
 [ 1.34057796e-09  1.34057796e-09 -9.80346804e-28]
 [ 1.34057796e-09 -1.34057796e-09  9.80352844e-28]
 [-1.34057796e-09  1.34057796e-09 -9.80316602e-28]
 [-1.34057796e-09 -1.34057796e-09  9.80346804e-28]
 [ 1.34057796e-09  1.34057796e-09 -9.80352844e-28]
 [ 1.34057796e-09 -1.34057796e-09  9.80352844e-28]
 [-1.34057796e-09  1.34057796e-09 -9.80389086e-28]]
stress =  [ 6.18451187e-11  6.18451187e-11  9.57365514e-11 -4.57548874e-27
 -6.13099388e-34 -9.84483873e-50]
energy per atom =  -4.640903707349011
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0