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:
SW_LeeHwang_2012GGA_Si__MO_040570764911_001
==== 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 15:38:35        3.949359        21.935416
BFGS:    1 15:38:35        0.899172        18.746793
BFGS:    2 15:38:35       -1.679104        15.646753
BFGS:    3 15:38:35       -3.800375        12.657206
BFGS:    4 15:38:35       -5.482987         9.802136
BFGS:    5 15:38:35       -6.749022         7.107243
BFGS:    6 15:38:35       -7.624513         4.599418
BFGS:    7 15:38:35       -8.139571         2.306038
BFGS:    8 15:38:35       -8.328396         0.254053
BFGS:    9 15:38:35       -8.330917         0.018069
BFGS:   10 15:38:35       -8.330930         0.000170
BFGS:   11 15:38:35       -8.330930         0.000000
BFGS:   12 15:38:35       -8.330930         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.074325561626272e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [1.2845582e-48 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.2612488336444105, 1.97437219172166e-32, -2.5659746054291146e-33], [2.6242718278264623e-32, 4.2612488336444105, -2.814124292188139e-17], [2.671672277747837e-32, -2.8141242921881405e-17, 4.2612488336444105]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.07432556e-14 -4.07432556e-14 -4.07432556e-14  1.11279539e-29
  1.76772801e-35 -4.52708617e-51]
energy per atom =  -2.0827324778022596
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0