element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
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 =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:44:44      -36.804068         0.398667
BFGS:    1 15:44:45      -36.810521         0.356668
BFGS:    2 15:44:45      -36.835508         0.017571
BFGS:    3 15:44:45      -36.835565         0.000723
BFGS:    4 15:44:45      -36.835565         0.000001
BFGS:    5 15:44:45      -36.835565         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.929178680794825e-31 eV/Angstrom
Maximum stress component: 5.423209789697376e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.53087156e-33 0.00000000e+00 3.95432154e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 6.55941134e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.431844736563629, -2.221877054798641e-33, -2.0548699532275717e-34], [-1.087158233262515e-33, 5.431844736563629, -6.165500018498193e-19], [-2.3783195006014097e-34, -6.165500018498195e-19, 5.431844736563629]])
forces =  [[-3.62660218e-32  2.92917868e-31  3.90557157e-32]
 [-2.23175519e-32 -6.69526556e-32 -3.90557157e-32]
 [-3.90557157e-32  2.78969398e-32  5.57938796e-32]
 [-5.57938796e-32 -1.14377453e-31  8.92702074e-32]
 [-2.02252814e-32  9.90341364e-32 -5.64913031e-32]
 [ 3.55685983e-32 -1.12285183e-31  8.85727839e-32]
 [-2.04120624e-66  2.78969398e-32 -8.09011255e-32]
 [ 4.25428332e-32  1.39484699e-32 -4.88196447e-32]]
stress =  [-5.42320979e-12 -5.42320979e-12 -5.42320979e-12 -3.19748806e-28
 -6.96264919e-35 -2.90628532e-51]
energy per atom =  -4.6044456741296464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0