element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:45      -52.844224         0.571132
BFGS:    1 15:48:45      -52.857952         0.550519
BFGS:    2 15:48:45      -52.930739         0.418230
BFGS:    3 15:48:45      -52.982873         0.275001
BFGS:    4 15:48:45      -53.012649         0.119979
BFGS:    5 15:48:45      -53.019190         0.008567
BFGS:    6 15:48:45      -53.019222         0.000240
BFGS:    7 15:48:45      -53.019222         0.000000
BFGS:    8 15:48:45      -53.019222         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.326303146015375e-31 eV/Angstrom
Maximum stress component: 9.996467207603684e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 1.45425818e-35 5.00000000e-01]
 [7.50000000e-01 7.32946122e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 7.27129090e-36]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.86816904e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.09954092e-36 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.63564545e-33 7.50000000e-01]
 [5.00000000e-01 3.67200190e-33 2.50000000e-01]]
cellpar =  Cell([[6.621691979346625, -6.79827711388065e-33, -1.8094896513706891e-34], [-2.3066240053772584e-33, 6.621691979346625, 1.0337120494219204e-18], [1.790046220139601e-33, 1.0337120494218213e-18, 6.621691979346625]])
forces =  [[-3.23073843e-32 -4.25097162e-34 -8.50194324e-34]
 [-3.23073843e-32  4.25097162e-34 -1.85980008e-34]
 [-8.76762897e-34  5.61128254e-32 -2.92254299e-34]
 [ 6.37645743e-34 -6.71653516e-32  3.18822872e-34]
 [-4.84876451e-34 -8.50194324e-34 -5.27120481e-32]
 [ 3.78602160e-34  6.37645743e-34  6.29143800e-32]
 [ 6.37645743e-34 -1.32630315e-31  4.46009421e-34]
 [-3.71960017e-34  9.69221530e-32 -1.06274291e-34]
 [ 2.72062184e-32  4.25097162e-34  6.37645743e-34]
 [-9.35213757e-33 -2.12548581e-34 -4.25097162e-34]
 [-2.12548581e-34 -4.25097162e-34 -1.03723708e-31]
 [ 4.25097162e-34  8.50194324e-34  1.13926039e-31]]
stress =  [-9.99646721e-13 -9.99646721e-13 -9.99646721e-13  6.45895787e-30
 -1.17130843e-35  2.37631848e-52]
energy per atom =  -4.418268536370926
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0