element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6513', '0.93471127']
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 =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:41:51       -3.979832        6.9465
BFGS:    1 14:41:51       -4.408356        0.6210
BFGS:    2 14:41:51       -4.411608        0.2850
BFGS:    3 14:41:51       -4.412826        0.0462
BFGS:    4 14:41:51       -4.412868        0.0178
BFGS:    5 14:41:51       -4.412872        0.0029
BFGS:    6 14:41:51       -4.412872        0.0003
BFGS:    7 14:41:51       -4.412872        0.0000
BFGS:    8 14:41:51       -4.412872        0.0000
BFGS:    9 14:41:51       -4.412872        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1836803625982689e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.761332277823489, -1.3434523798925393e-17, 1.0449168881246031e-35], [-1.3806661389117445, 2.3913839008850912, -2.409044827104921e-35], [-4.161381418916437e-35, -2.5950577649458936e-35, 2.6409687223122655]])
forces =  [[0. 0. 0.]]
stress =  [-1.75246197e-10 -1.75246197e-10 -2.18368036e-10  3.25279467e-34
 -1.49892177e-46  3.04164800e-26]
energy per atom =  -4.4128718017237745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0