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_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_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 17:21:28      -40.177397        1.8331
BFGS:    1 17:21:28      -40.511771        0.9363
BFGS:    2 17:21:28      -40.625709        0.7844
BFGS:    3 17:21:28      -40.643659        0.6956
BFGS:    4 17:21:28      -40.663208        0.5780
BFGS:    5 17:21:28      -40.694304        0.3667
BFGS:    6 17:21:28      -40.713870        0.1889
BFGS:    7 17:21:28      -40.720541        0.0776
BFGS:    8 17:21:28      -40.721242        0.0998
BFGS:    9 17:21:28      -40.722442        0.1290
BFGS:   10 17:21:28      -40.724269        0.1482
BFGS:   11 17:21:28      -40.728685        0.1778
BFGS:   12 17:21:28      -40.734277        0.1961
BFGS:   13 17:21:28      -40.738770        0.1384
BFGS:   14 17:21:28      -40.740560        0.0467
BFGS:   15 17:21:28      -40.740784        0.0090
BFGS:   16 17:21:28      -40.740804        0.0006
BFGS:   17 17:21:28      -40.740805        0.0001
BFGS:   18 17:21:28      -40.740805        0.0000
BFGS:   19 17:21:29      -40.740805        0.0000
BFGS:   20 17:21:29      -40.740805        0.0000
BFGS:   21 17:21:29      -40.740805        0.0000
Minimization converged after 21 steps.
Maximum force component: 9.384714977789953e-10 eV/Angstrom
Maximum stress component: 2.13743087357361e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81477537 0.81477537 0.        ]
 [0.18522463 0.18522463 0.        ]
 [0.18522463 0.81477537 0.        ]
 [0.81477537 0.18522463 0.        ]
 [0.31477537 0.31477537 0.5       ]
 [0.68522463 0.68522463 0.5       ]
 [0.68522463 0.31477537 0.5       ]
 [0.31477537 0.68522463 0.5       ]]
cellpar =  Cell([[6.687877094449133, 4.319698383593679e-37, -6.816308422654013e-33], [1.0342680274313765e-36, 6.687877094449139, 5.8246549593996726e-18], [6.703030262079884e-35, 3.743241041727072e-18, 4.035780727323874]])
forces =  [[ 9.38471498e-10  9.38471498e-10  8.17390223e-28]
 [-9.38471498e-10 -9.38471498e-10 -8.17390223e-28]
 [-9.38471498e-10  9.38471498e-10  8.17356024e-28]
 [ 9.38471498e-10 -9.38471498e-10 -8.17340478e-28]
 [ 9.38471498e-10  9.38471498e-10  8.17377787e-28]
 [-9.38471498e-10 -9.38471498e-10 -8.17421314e-28]
 [-9.38471498e-10  9.38471498e-10  8.17315606e-28]
 [ 9.38471498e-10 -9.38471498e-10 -8.17334260e-28]]
stress =  [ 2.13743087e-11  2.13743087e-11 -1.79968056e-11  5.93859733e-27
 -2.28336121e-34  4.80791642e-51]
energy per atom =  -5.092600590492088
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0