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 17:33:01      -40.177397         1.833096
BFGS:    1 17:33:01      -40.511771         0.936272
BFGS:    2 17:33:01      -40.625709         0.784378
BFGS:    3 17:33:01      -40.643659         0.695570
BFGS:    4 17:33:01      -40.663208         0.577975
BFGS:    5 17:33:01      -40.694304         0.366688
BFGS:    6 17:33:01      -40.713870         0.188899
BFGS:    7 17:33:01      -40.720541         0.077562
BFGS:    8 17:33:01      -40.721242         0.099826
BFGS:    9 17:33:01      -40.722442         0.128952
BFGS:   10 17:33:01      -40.724269         0.148249
BFGS:   11 17:33:01      -40.728685         0.177844
BFGS:   12 17:33:01      -40.734277         0.196082
BFGS:   13 17:33:01      -40.738770         0.138394
BFGS:   14 17:33:01      -40.740560         0.046676
BFGS:   15 17:33:01      -40.740784         0.009049
BFGS:   16 17:33:01      -40.740804         0.000635
BFGS:   17 17:33:01      -40.740805         0.000113
BFGS:   18 17:33:01      -40.740805         0.000004
BFGS:   19 17:33:01      -40.740805         0.000000
BFGS:   20 17:33:01      -40.740805         0.000000
BFGS:   21 17:33:01      -40.740805         0.000000
Minimization converged after 21 steps.
Maximum force component: 9.384967573043692e-10 eV/Angstrom
Maximum stress component: 2.137529526611898e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.14775371e-01 8.14775371e-01 0.00000000e+00]
 [1.85224629e-01 1.85224629e-01 1.52708391e-33]
 [1.85224629e-01 8.14775371e-01 0.00000000e+00]
 [8.14775371e-01 1.85224629e-01 0.00000000e+00]
 [3.14775371e-01 3.14775371e-01 5.00000000e-01]
 [6.85224629e-01 6.85224629e-01 5.00000000e-01]
 [6.85224629e-01 3.14775371e-01 5.00000000e-01]
 [3.14775371e-01 6.85224629e-01 5.00000000e-01]]
cellpar =  Cell([[6.687877094449139, 2.237812100787096e-35, -3.1151880998820525e-33], [1.1228646337344231e-35, 6.687877094449135, -3.6715322553475696e-18], [4.112971219456817e-33, -2.2121931329237913e-18, 4.035780727323873]])
forces =  [[ 9.38496757e-10  9.38496757e-10 -5.15194093e-28]
 [-9.38496757e-10 -9.38496757e-10  5.15218965e-28]
 [-9.38496757e-10  9.38496757e-10 -5.15318455e-28]
 [ 9.38496757e-10 -9.38496757e-10  5.15268710e-28]
 [ 9.38496757e-10  9.38496757e-10 -5.15268710e-28]
 [-9.38496757e-10 -9.38496757e-10  5.15144348e-28]
 [-9.38496757e-10  9.38496757e-10 -5.15268710e-28]
 [ 9.38496757e-10 -9.38496757e-10  5.15318455e-28]]
stress =  [ 2.13752953e-11  2.13752953e-11 -1.79970789e-11 -5.97719383e-27
  7.84905415e-35  1.21698413e-50]
energy per atom =  -5.092600590492089
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0