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:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== 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 15:34:26      -50.732948         0.211453
BFGS:    1 15:34:26      -50.734801         0.197418
BFGS:    2 15:34:26      -50.747567         0.004170
BFGS:    3 15:34:26      -50.747573         0.000085
BFGS:    4 15:34:26      -50.747573         0.000000
BFGS:    5 15:34:26      -50.747573         0.000000
Minimization converged after 5 steps.
Maximum force component: 6.14909061555721e-30 eV/Angstrom
Maximum stress component: 1.2356762473280945e-14 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 9.04661134e-38 5.00000000e-01]
 [7.50000000e-01 7.32511775e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 9.39455793e-38]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [7.08879151e-38 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [8.06478282e-38 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 4.17535908e-38]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.66265282e-33 7.50000000e-01]
 [5.00000000e-01 3.66270153e-33 2.50000000e-01]]
cellpar =  Cell([[6.756751668877757, 1.162946417694811e-32, 2.4239476083832225e-33], [8.902604031540652e-33, 6.756751668877757, -8.3066428032448615e-22], [-3.535731708827426e-33, -8.306642804216039e-22, 6.756751668877757]])
forces =  [[-1.80447354e-31  1.38805657e-32 -1.70645463e-54]
 [-6.66267155e-31 -6.94028286e-33  2.08208486e-32]
 [ 2.05561412e-63  1.55462336e-30 -1.38805657e-32]
 [ 2.08208486e-32 -1.74895128e-30  2.15013283e-52]
 [ 1.38805657e-32  1.80884190e-52 -1.47133997e-30]
 [-9.77076522e-64 -1.38805657e-32  1.83223468e-30]
 [-6.94028286e-33  5.49670403e-30 -6.94028286e-33]
 [ 6.94028286e-33 -4.73327291e-30  1.38805657e-32]
 [ 1.22148978e-30  8.53227315e-55 -6.94028286e-33]
 [-9.43878469e-31  2.77611314e-32 -3.41290925e-54]
 [ 2.77611314e-32 -6.55278576e-52  5.33013724e-30]
 [ 3.21317734e-63 -3.47014143e-33 -6.14909062e-30]]
stress =  [-1.23567625e-14 -1.23567625e-14 -1.23567625e-14  3.73187467e-33
  1.79992034e-34 -1.94658322e-51]
energy per atom =  -4.228964388677714
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0