element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:48:35      -16.149070         5.886745
BFGS:    1 09:48:35      -16.817901         4.021053
BFGS:    2 09:48:35      -17.234898         2.458842
BFGS:    3 09:48:35      -17.451439         1.162772
BFGS:    4 09:48:35      -17.513140         0.289876
BFGS:    5 09:48:35      -17.517766         0.409317
BFGS:    6 09:48:35      -17.524140         0.482087
BFGS:    7 09:48:35      -17.534101         0.444904
BFGS:    8 09:48:35      -17.541459         0.230678
BFGS:    9 09:48:35      -17.543712         0.076103
BFGS:   10 09:48:35      -17.544091         0.005344
BFGS:   11 09:48:35      -17.544096         0.000339
BFGS:   12 09:48:35      -17.544096         0.000007
BFGS:   13 09:48:35      -17.544096         0.000000
BFGS:   14 09:48:35      -17.544096         0.000000
Minimization converged after 14 steps.
Maximum force component: 9.457092127436957e-32 eV/Angstrom
Maximum stress component: 4.545112538146787e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[5.07380530e-35 1.53771118e-33 6.16273657e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.48506939e-33 7.50000000e-01]]
cellpar =  Cell([[5.1150030983505586, 1.7768466219823994e-36, 1.5647514932437224e-38], [-3.117951341042318e-36, 5.1150030983505586, -7.926076542188213e-18], [-2.2049872849038375e-37, -4.415537897588229e-18, 2.670088745366669]])
forces =  [[-6.30472808e-32  6.30472808e-32 -9.76964362e-50]
 [-6.30472808e-32  6.30472808e-32  8.22784619e-33]
 [ 6.30472808e-32  6.30472808e-32  3.29113848e-32]
 [-9.45709213e-32 -6.30472808e-32  8.22784619e-33]]
stress =  [-4.54511254e-12 -4.54511254e-12  3.35587780e-13  1.23721547e-28
  4.51251716e-34 -3.26902999e-51]
energy per atom =  -4.386023997611908
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0