element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:32:14      -13.166468        1.7730
BFGS:    1 15:32:14      -13.277158        1.5965
BFGS:    2 15:32:14      -13.462513        1.2347
BFGS:    3 15:32:14      -13.600310        0.8517
BFGS:    4 15:32:14      -13.686575        0.4480
BFGS:    5 15:32:14      -13.717258        0.0448
BFGS:    6 15:32:14      -13.717378        0.0275
BFGS:    7 15:32:14      -13.717483        0.0332
BFGS:    8 15:32:14      -13.717550        0.0379
BFGS:    9 15:32:14      -13.717691        0.0391
BFGS:   10 15:32:14      -13.717825        0.0280
BFGS:   11 15:32:14      -13.717894        0.0132
BFGS:   12 15:32:14      -13.717906        0.0025
BFGS:   13 15:32:14      -13.717907        0.0001
BFGS:   14 15:32:14      -13.717907        0.0000
BFGS:   15 15:32:14      -13.717907        0.0000
BFGS:   16 15:32:14      -13.717907        0.0000
BFGS:   17 15:32:14      -13.717907        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.3278592800048315e-09 eV/Angstrom
Maximum stress component: 2.4166434174152907e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.661083173840426, -2.7348799701476503e-18, -9.350998691102558e-39], [-1.830541586920213, 3.170591033913568, -5.386535940081848e-37], [5.943503486570823e-36, 1.8269031302481535e-35, 5.9785237885704925]])
forces =  [[ 6.01684456e-32  2.08429609e-31 -1.32785928e-09]
 [-3.00842228e-31  3.12644414e-31 -1.32785928e-09]
 [ 6.01684456e-32  4.05759597e-45  1.32785928e-09]
 [-6.01684456e-32 -1.04214805e-31  1.32785928e-09]]
stress =  [ 2.29896011e-10  2.29896011e-10  2.41664342e-10 -1.95077655e-33
 -3.75427121e-34 -1.19622968e-26]
energy per atom =  -3.4294766880110825
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0