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_LeeHwang_2012GGA_Si__MO_040570764911_001
==== 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 16:55:21       -0.887964        11.302487
BFGS:    1 16:55:21       -1.797457         5.560909
BFGS:    2 16:55:21       -2.156712         0.760310
BFGS:    3 16:55:21       -2.167898         0.253764
BFGS:    4 16:55:21       -2.168747         0.081400
BFGS:    5 16:55:21       -2.168924         0.040078
BFGS:    6 16:55:21       -2.168949         0.007088
BFGS:    7 16:55:21       -2.168950         0.000671
BFGS:    8 16:55:21       -2.168950         0.000033
BFGS:    9 16:55:21       -2.168950         0.000001
BFGS:   10 16:55:21       -2.168950         0.000000
BFGS:   11 16:55:21       -2.168950         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3792578370857673e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.928361036860646, -2.8580799287984074e-17, 4.765878411918427e-36], [-1.464180518430323, 2.5360350493738575, -2.802426632749336e-35], [-2.4100494308788484e-36, -1.4997039629581667e-34, 2.6731149097317983]])
forces =  [[0. 0. 0.]]
stress =  [-1.37925784e-11 -1.37925784e-11 -4.56987488e-12 -3.92534536e-46
  1.43085198e-46  7.30376420e-27]
energy per atom =  -2.1689495458380557
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0