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_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_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      -55.202513         2.933941
BFGS:    1 15:34:26      -55.560644         2.761711
BFGS:    2 15:34:26      -55.959131         2.550284
BFGS:    3 15:34:26      -56.325355         2.331373
BFGS:    4 15:34:26      -56.658116         2.103936
BFGS:    5 15:34:26      -56.956060         1.866987
BFGS:    6 15:34:26      -57.217693         1.619662
BFGS:    7 15:34:26      -57.441407         1.361313
BFGS:    8 15:34:26      -57.625519         1.091622
BFGS:    9 15:34:26      -57.768333         0.810751
BFGS:   10 15:34:26      -57.868224         0.519510
BFGS:   11 15:34:26      -57.923748         0.219544
BFGS:   12 15:34:26      -57.935602         0.004032
BFGS:   13 15:34:26      -57.935606         0.000021
BFGS:   14 15:34:26      -57.935606         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.7391455091232395e-30 eV/Angstrom
Maximum stress component: 5.626940074789622e-11 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 1.36497603e-35 5.00000000e-01]
 [7.50000000e-01 7.31627153e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.55647062e-38 5.00000000e-01 2.50000000e-01]
 [9.65524447e-37 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.97460475e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.68543529e-33 7.50000000e-01]
 [5.00000000e-01 3.66496065e-33 2.50000000e-01]]
cellpar =  Cell([[7.054812315277774, -1.2710862173247727e-32, -1.8700416352722433e-32], [-3.59444941190206e-32, 7.054812315277774, 1.1624161529902859e-18], [1.086947102642264e-32, 1.1624161529901767e-18, 7.054812315277774]])
forces =  [[ 1.07247306e-30  1.44928792e-32  1.22283669e-32]
 [-1.73914551e-30 -1.44928792e-32 -2.38798088e-51]
 [ 1.26812693e-32 -1.15943034e-30  1.81160991e-32]
 [-3.62321981e-33  2.31886068e-31 -1.44928792e-32]
 [ 1.44928792e-32  1.81160991e-33  1.24638761e-30]
 [-1.08696594e-32 -1.48054815e-49 -8.98558513e-31]
 [ 8.38166651e-63 -1.65218823e-30 -2.35509288e-32]
 [ 1.44928792e-32  7.24643962e-31  3.26089783e-32]
 [-9.27544272e-31 -9.05804953e-33 -1.49248805e-51]
 [ 3.47829102e-31  2.17393189e-32  3.62321981e-33]
 [ 2.53625387e-32  7.24643962e-33 -1.72465263e-30]
 [-1.58515867e-32  1.07459140e-49  6.52179566e-31]]
stress =  [-5.62694007e-11 -5.62694007e-11 -5.62694007e-11  4.24239001e-28
  4.61311073e-59  2.85718166e-60]
energy per atom =  -4.827967177011278
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0