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_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== 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 17:33:35      -44.082287        3.0211
BFGS:    1 17:33:35      -44.444984        2.5865
BFGS:    2 17:33:35      -44.797552        2.1213
BFGS:    3 17:33:35      -45.083416        1.6970
BFGS:    4 17:33:35      -45.308644        1.3126
BFGS:    5 17:33:35      -45.479128        0.9668
BFGS:    6 17:33:35      -45.600504        0.6575
BFGS:    7 17:33:35      -45.678064        0.3821
BFGS:    8 17:33:35      -45.716675        0.1376
BFGS:    9 17:33:35      -45.722939        0.0122
BFGS:   10 17:33:35      -45.722991        0.0004
BFGS:   11 17:33:35      -45.722991        0.0000
BFGS:   12 17:33:35      -45.722991        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.92251917989348e-30 eV/Angstrom
Maximum stress component: 6.322471249419217e-12 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 7.18569087e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.52745452e-35]
 [5.00000000e-01 7.50000000e-01 2.21098181e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [2.82118644e-37 5.00000000e-01 7.50000000e-01]
 [5.64237288e-37 2.50000000e-01 5.00000000e-01]
 [1.88079096e-36 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 3.53757089e-33 7.50000000e-01]
 [5.00000000e-01 3.64811998e-33 2.50000000e-01]]
cellpar =  Cell([[6.968596264360239, 1.0218930914866989e-32, -7.888204852775536e-33], [-1.6088379324706079e-32, 6.968596264360239, -1.1007955749472084e-17], [3.9829255499747953e-32, -1.1007955749472243e-17, 6.968596264360239]])
forces =  [[-3.72209849e-31  7.15788172e-33 -3.57894086e-33]
 [ 4.86735957e-31 -7.15788172e-33  1.13069609e-50]
 [-1.78947043e-33 -2.80588963e-30  1.43157634e-32]
 [-4.40361201e-63  1.88968077e-30 -7.15788172e-33]
 [ 8.94735214e-33 -3.57894086e-33  3.65051967e-30]
 [-8.94735214e-33 -1.78947043e-33 -3.92251918e-30]
 [ 3.57894086e-33 -1.43157634e-30 -8.94735214e-33]
 [ 3.57894086e-33  1.43157634e-30  1.43157634e-32]
 [ 4.29472903e-32 -7.15788172e-33  2.68420564e-33]
 [-1.43157634e-31  8.94735214e-33  3.57894086e-33]
 [ 1.07368226e-32 -3.57894086e-33 -2.37641673e-30]
 [-7.15788172e-33 -4.47367607e-33  2.27620639e-30]]
stress =  [-6.32247125e-12 -6.32247125e-12 -6.32247125e-12 -8.58832760e-29
  1.26911172e-34  1.32628869e-50]
energy per atom =  -3.81024923965416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0