element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:40:27      -69.642700        0.8590
BFGS:    1 17:40:27      -69.679487        0.7815
BFGS:    2 17:40:27      -69.780796        0.4856
BFGS:    3 17:40:27      -69.824647        0.2166
BFGS:    4 17:40:27      -69.836275        0.1708
BFGS:    5 17:40:27      -69.850753        0.1460
BFGS:    6 17:40:27      -69.861683        0.0678
BFGS:    7 17:40:27      -69.864356        0.0277
BFGS:    8 17:40:27      -69.864619        0.0050
BFGS:    9 17:40:27      -69.864629        0.0002
BFGS:   10 17:40:27      -69.864629        0.0000
BFGS:   11 17:40:27      -69.864629        0.0000
BFGS:   12 17:40:27      -69.864629        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.73384297180988e-11 eV/Angstrom
Maximum stress component: 2.5955869829764683e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.10145892 0.10145892 0.10145892]
 [0.39854108 0.89854108 0.60145892]
 [0.89854108 0.60145892 0.39854108]
 [0.60145892 0.39854108 0.89854108]
 [0.60145892 0.60145892 0.60145892]
 [0.89854108 0.39854108 0.10145892]
 [0.39854108 0.10145892 0.89854108]
 [0.10145892 0.89854108 0.39854108]
 [0.89854108 0.89854108 0.89854108]
 [0.60145892 0.10145892 0.39854108]
 [0.10145892 0.39854108 0.60145892]
 [0.39854108 0.60145892 0.10145892]
 [0.39854108 0.39854108 0.39854108]
 [0.10145892 0.60145892 0.89854108]
 [0.60145892 0.89854108 0.10145892]
 [0.89854108 0.10145892 0.60145892]]
cellpar =  Cell([[6.73008493633438, 1.7841624478977436e-37, 0.0], [4.556729649975236e-37, 6.73008493633438, 0.0], [0.0, 0.0, 6.73008493633438]])
forces =  [[-1.73384297e-11 -1.73384297e-11 -1.73384297e-11]
 [ 1.73384297e-11  1.73384297e-11 -1.73384297e-11]
 [ 1.73384297e-11 -1.73384297e-11  1.73384297e-11]
 [-1.73384297e-11  1.73384297e-11  1.73384297e-11]
 [-1.73384297e-11 -1.73384297e-11 -1.73384297e-11]
 [ 1.73384297e-11  1.73384297e-11 -1.73384297e-11]
 [ 1.73384297e-11 -1.73384297e-11  1.73384297e-11]
 [-1.73384297e-11  1.73384297e-11  1.73384297e-11]
 [ 1.73384297e-11  1.73384297e-11  1.73384297e-11]
 [-1.73384297e-11 -1.73384297e-11  1.73384297e-11]
 [-1.73384297e-11  1.73384297e-11 -1.73384297e-11]
 [ 1.73384297e-11 -1.73384297e-11 -1.73384297e-11]
 [ 1.73384297e-11  1.73384297e-11  1.73384297e-11]
 [-1.73384297e-11 -1.73384297e-11  1.73384297e-11]
 [-1.73384297e-11  1.73384297e-11 -1.73384297e-11]
 [ 1.73384297e-11 -1.73384297e-11 -1.73384297e-11]]
stress =  [-2.59558698e-11 -2.59558698e-11 -2.59558698e-11  0.00000000e+00
  0.00000000e+00 -4.53553078e-34]
energy per atom =  -4.366539323855249
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0