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:
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== 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 10:55:23        1.027153        28.842701
BFGS:    1 10:55:23       -1.404507        16.429026
BFGS:    2 10:55:23       -2.633107         6.479949
BFGS:    3 10:55:23       -2.889912         1.116818
BFGS:    4 10:55:23       -2.898017         0.168011
BFGS:    5 10:55:23       -2.898230         0.022905
BFGS:    6 10:55:24       -2.898238         0.006286
BFGS:    7 10:55:24       -2.898238         0.000531
BFGS:    8 10:55:24       -2.898238         0.000038
BFGS:    9 10:55:24       -2.898238         0.000000
BFGS:   10 10:55:24       -2.898238         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.182407065146261e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.989887697341681, 4.488311837888978e-17, 5.811753535475376e-34], [-1.4949438486708404, 2.589318700360455, 4.86125669431719e-34], [-4.910480835958835e-35, -5.6839336345393945e-34, 2.731168644628542]])
forces =  [[0. 0. 0.]]
stress =  [-7.18316061e-11 -7.18316061e-11 -5.18240707e-10  1.85396185e-43
  1.14994513e-43 -1.69547313e-26]
energy per atom =  -2.898238022252117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0