element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:01      -35.710999         0.581311
BFGS:    1 16:34:01      -35.740809         0.270227
BFGS:    2 16:34:01      -35.752360         0.273466
BFGS:    3 16:34:01      -35.754849         0.258207
BFGS:    4 16:34:01      -35.764404         0.198512
BFGS:    5 16:34:01      -35.767106         0.233332
BFGS:    6 16:34:01      -35.768589         0.221053
BFGS:    7 16:34:01      -35.770009         0.193265
BFGS:    8 16:34:01      -35.773308         0.126230
BFGS:    9 16:34:01      -35.777275         0.139453
BFGS:   10 16:34:01      -35.780012         0.081107
BFGS:   11 16:34:01      -35.780697         0.020055
BFGS:   12 16:34:01      -35.780753         0.002744
BFGS:   13 16:34:01      -35.780754         0.000181
BFGS:   14 16:34:01      -35.780754         0.000010
BFGS:   15 16:34:01      -35.780754         0.000001
BFGS:   16 16:34:01      -35.780754         0.000000
BFGS:   17 16:34:01      -35.780754         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.1658000906461318e-09 eV/Angstrom
Maximum stress component: 7.634787238532507e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81811197 0.81811197 0.        ]
 [0.18188803 0.18188803 0.        ]
 [0.18188803 0.81811197 0.        ]
 [0.81811197 0.18188803 0.        ]
 [0.31811197 0.31811197 0.5       ]
 [0.68188803 0.68188803 0.5       ]
 [0.68188803 0.31811197 0.5       ]
 [0.31811197 0.68188803 0.5       ]]
cellpar =  Cell([[6.591095335343205, -7.010362260066334e-36, 1.6189319706323033e-33], [-9.224523288247857e-36, 6.591095335343207, 6.1463511583084854e-18], [7.462728280142967e-33, 3.605321906329174e-18, 3.9098003720659964]])
forces =  [[-2.16580009e-09 -2.16580009e-09 -2.01965944e-27]
 [ 2.16580009e-09  2.16580009e-09  2.01968353e-27]
 [ 2.16580009e-09 -2.16580009e-09 -2.01967977e-27]
 [-2.16580009e-09  2.16580009e-09  2.01975582e-27]
 [-2.16580009e-09 -2.16580009e-09 -2.01965944e-27]
 [ 2.16580009e-09  2.16580009e-09  2.01968353e-27]
 [ 2.16580009e-09 -2.16580009e-09 -2.01968353e-27]
 [-2.16580009e-09  2.16580009e-09  2.01967450e-27]]
stress =  [-2.34277378e-11 -2.34277378e-11  7.63478724e-11 -5.90998533e-27
  9.59954171e-44 -3.97558759e-60]
energy per atom =  -4.472594253018528
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0