element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:28:24      -26.329139         1.648845
BFGS:    1 16:28:25      -26.442913         1.571013
BFGS:    2 16:28:25      -26.665887         1.400833
BFGS:    3 16:28:25      -26.862817         1.223732
BFGS:    4 16:28:25      -27.032649         1.039485
BFGS:    5 16:28:25      -27.174293         0.847852
BFGS:    6 16:28:25      -27.286622         0.648570
BFGS:    7 16:28:25      -27.368468         0.441357
BFGS:    8 16:28:25      -27.418618         0.225908
BFGS:    9 16:28:25      -27.435812         0.001897
BFGS:   10 16:28:25      -27.435814         0.000038
BFGS:   11 16:28:25      -27.435814         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.5954568450787055e-31 eV/Angstrom
Maximum stress component: 3.3206818300777163e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 4.43093289e-33 0.00000000e+00]
 [1.08767513e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.177553477893781, 4.1516713419347513e-33, 3.763056482521046e-34], [-2.954564297178967e-33, 5.177553477893781, -8.321212702698624e-17], [-1.0601994079253785e-32, -8.321212702698624e-17, 5.177553477893781]])
forces =  [[ 5.18523475e-32 -3.72273264e-32  1.06363790e-32]
 [-9.04092212e-32  1.27636548e-31  3.19091369e-32]
 [ 6.38182738e-32 -1.06363790e-31 -4.78637054e-32]
 [ 1.06363790e-32 -1.46250211e-32 -3.32386843e-32]
 [-2.12727579e-32  9.57274107e-32 -8.77501265e-32]
 [ 4.78637054e-32 -1.59545685e-32 -1.59545685e-31]
 [-6.98012370e-32  1.59545685e-32  5.85831810e-32]
 [ 4.78637054e-32 -4.25455159e-32  2.12727579e-32]]
stress =  [ 3.32068183e-10  3.32068183e-10  3.32068183e-10  1.63999207e-25
 -1.78127491e-58 -1.28493968e-60]
energy per atom =  -3.429476688011081
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0