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 15:32:36      -50.280621         0.673341
BFGS:    1 15:32:36      -50.299286         0.620375
BFGS:    2 15:32:36      -50.372388         0.357880
BFGS:    3 15:32:36      -50.407700         0.116386
BFGS:    4 15:32:36      -50.412141         0.007244
BFGS:    5 15:32:36      -50.412159         0.000162
BFGS:    6 15:32:36      -50.412159         0.000000
BFGS:    7 15:32:37      -50.412159         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.859310024872522e-30 eV/Angstrom
Maximum stress component: 2.933233236280747e-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 7.31424758e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.02095589e-49 5.00000000e-01 2.50000000e-01]
 [4.02095589e-49 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [4.02095589e-49 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 3.66419753e-33 7.50000000e-01]
 [5.00000000e-01 3.65712379e-33 2.50000000e-01]]
cellpar =  Cell([[6.806617974951618, 4.5008197236439644e-32, 4.284115367123319e-32], [2.598570280387175e-32, 6.806617974951618, -8.143736055395426e-19], [1.7493086892958502e-32, -8.14373605539628e-19, 6.806617974951618]])
forces =  [[-1.70592690e-30  4.19490220e-32 -5.01896484e-51]
 [-8.38980440e-31  1.39830073e-32  1.39830073e-32]
 [-1.39830073e-32  2.18134914e-30  4.19490220e-32]
 [ 1.39830073e-32  9.22878484e-31  2.09745110e-32]
 [ 4.19490220e-32  6.69195312e-50 -5.59320293e-31]
 [-4.19490220e-32  1.39830073e-32 -3.35592176e-31]
 [ 1.39830073e-32 -5.03388264e-31  1.39830073e-32]
 [-6.99150367e-33  6.99150367e-32  2.09745110e-32]
 [ 5.59320293e-32 -4.19490220e-32  1.39830073e-32]
 [ 8.38980440e-31  1.39830073e-32 -1.39830073e-32]
 [-7.09693523e-63 -1.39830073e-32 -2.74066944e-30]
 [-4.89405257e-32  1.39830073e-32  3.85931002e-30]]
stress =  [-2.93323324e-13 -2.93323324e-13 -2.93323324e-13 -5.59796794e-29
 -4.43410994e-35 -3.59771829e-51]
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