element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:31:41      -15.197529         7.718037
BFGS:    1 15:31:41      -16.179279         5.429183
BFGS:    2 15:31:41      -16.842446         3.463747
BFGS:    3 15:31:41      -17.232731         1.785018
BFGS:    4 15:31:41      -17.390654         0.360469
BFGS:    5 15:31:41      -17.398148         0.036770
BFGS:    6 15:31:41      -17.398230         0.000891
BFGS:    7 15:31:42      -17.398230         0.000002
BFGS:    8 15:31:42      -17.398230         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.898040247540113e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.075058919210806, 5.647849452964642e-33, 1.5375141469713901e-32], [3.1937651970165656e-34, 4.075058919210806, 1.2476827603670727e-17], [7.757249733464557e-33, 1.2476827603670739e-17, 4.075058919210806]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.89804025e-12 -8.89804025e-12 -8.89804025e-12  2.50504924e-27
 -2.47418073e-34  3.65493500e-50]
energy per atom =  -4.349557398344573
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0