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:
SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005
==== 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 15:46:09      -50.280621         0.673341
BFGS:    1 15:46:09      -50.299286         0.620375
BFGS:    2 15:46:09      -50.372388         0.357880
BFGS:    3 15:46:09      -50.407700         0.116386
BFGS:    4 15:46:09      -50.412141         0.007244
BFGS:    5 15:46:09      -50.412159         0.000162
BFGS:    6 15:46:09      -50.412159         0.000000
BFGS:    7 15:46:09      -50.412159         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.859310024872522e-30 eV/Angstrom
Maximum stress component: 2.9332332362807477e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.07374041e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 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 3.50857524e-33 7.50000000e-01]
 [5.00000000e-01 3.53687020e-33 2.50000000e-01]]
cellpar =  Cell([[6.806617974951618, -9.06301533955341e-34, 4.012839634880864e-33], [4.6948380031246045e-34, 6.806617974951618, -6.5065625894946884e-18], [-3.207197934399248e-33, -6.506562589494795e-18, 6.806617974951618]])
forces =  [[-1.70592690e-30 -1.39830073e-32  1.39830073e-32]
 [-8.38980440e-31  1.39830073e-32  1.39830073e-32]
 [ 1.39830073e-32  1.39830073e-30  2.79660147e-32]
 [-6.99150367e-33  1.70592690e-30 -2.79660147e-32]
 [ 3.49575183e-32  6.99150367e-33 -5.59320293e-31]
 [ 2.79660147e-32 -1.39830073e-32 -3.35592176e-31]
 [-1.39830073e-32 -1.28643667e-30  1.39830073e-32]
 [ 1.39830073e-32  8.52963448e-31 -1.39830073e-32]
 [ 5.59320293e-32  2.79660147e-32  2.09745110e-32]
 [ 8.38980440e-31 -2.79660147e-32 -1.39830073e-32]
 [-1.39830073e-32  1.39830073e-32 -2.74066944e-30]
 [ 2.09745110e-32 -1.39830073e-32  3.85931002e-30]]
stress =  [-2.93323324e-13 -2.93323324e-13 -2.93323324e-13  1.26064346e-28
 -3.32558245e-35  1.27631510e-50]
energy per atom =  -4.201013234276153
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0