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 15:48:44      -55.202513         2.933941
BFGS:    1 15:48:44      -55.560644         2.761711
BFGS:    2 15:48:44      -55.959131         2.550284
BFGS:    3 15:48:44      -56.325355         2.331373
BFGS:    4 15:48:44      -56.658116         2.103936
BFGS:    5 15:48:44      -56.956060         1.866987
BFGS:    6 15:48:44      -57.217693         1.619662
BFGS:    7 15:48:45      -57.441407         1.361313
BFGS:    8 15:48:45      -57.625519         1.091622
BFGS:    9 15:48:45      -57.768333         0.810751
BFGS:   10 15:48:45      -57.868224         0.519510
BFGS:   11 15:48:45      -57.923748         0.219544
BFGS:   12 15:48:45      -57.935602         0.004032
BFGS:   13 15:48:45      -57.935606         0.000021
BFGS:   14 15:48:45      -57.935606         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.8116359085742954e-30 eV/Angstrom
Maximum stress component: 5.626984131175138e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.26167249e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 2.72995206e-35]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [4.28075859e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [3.29138418e-36 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 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 3.33054152e-33 7.50000000e-01]
 [5.00000000e-01 3.68543529e-33 2.50000000e-01]]
cellpar =  Cell([[7.054812315277772, 3.5197701813632474e-32, 7.543157425167921e-33], [2.6650728966913067e-33, 7.054812315277772, -4.620244461328057e-18], [2.3118988728166094e-33, -4.620244461328163e-18, 7.054812315277772]])
forces =  [[-2.60871826e-31  7.69934210e-33  7.24643962e-33]
 [ 1.39131641e-30 -7.35966524e-33  7.24643962e-33]
 [ 7.24643962e-33 -1.10145882e-30  7.92579334e-33]
 [ 7.24643962e-33  9.85515789e-31 -7.47289086e-33]
 [ 8.15224457e-33  7.24643962e-33  3.76814860e-31]
 [-7.24643962e-33  7.24643962e-33 -1.68117399e-30]
 [ 5.43482972e-33 -4.81163591e-30 -7.24643962e-33]
 [ 9.05804953e-33  2.00001734e-30  7.24643962e-33]
 [-3.47829102e-31 -7.24643962e-33  5.43482972e-33]
 [-5.79715170e-32  7.24643962e-33  8.15224457e-33]
 [ 7.24643962e-33  9.28450076e-33 -2.31886068e-30]
 [-7.24643962e-33  5.43482972e-33  4.43482105e-30]]
stress =  [-5.62698413e-11 -5.62698413e-11 -5.62698413e-11 -3.59767039e-27
  1.23828193e-34  1.51087868e-50]
energy per atom =  -4.82796717701128
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0