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:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== 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 14:39:52       -0.033081        7.5482
BFGS:    1 14:39:52       -1.298300       36.2455
BFGS:    2 14:39:52       -2.698675       11.2315
BFGS:    3 14:39:52       -2.756534        1.2905
BFGS:    4 14:39:52       -2.759290        1.0927
BFGS:    5 14:39:52       -2.755928        4.2871
BFGS:    6 14:39:52       -2.761844        0.8762
BFGS:    7 14:39:52       -2.763236        0.7351
BFGS:    8 14:39:52       -2.753417        4.8172
BFGS:    9 14:39:52       -2.764056        0.6392
BFGS:   10 14:39:52       -2.764608        0.5664
BFGS:   11 14:39:52       -2.752331        5.0287
BFGS:   12 14:39:52       -2.764996        0.5095
BFGS:   13 14:39:52       -2.765282        0.4634
BFGS:   14 14:39:52       -2.751808        5.1276
BFGS:   15 14:39:52       -2.765444        0.1088
BFGS:   16 14:39:52       -2.765450        0.0004
BFGS:   17 14:39:52       -2.765450        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2987998424298757e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.651300000000001, 2.7251043492533202e-30, 3.9924475616377497e-38], [-1.3256500000000004, 2.296093153053682, 7.984895123213928e-38], [7.267418805197373e-35, -1.3829256338020946e-35, 2.201158433781814]])
forces =  [[0. 0. 0.]]
stress =  [ 7.34385743e-80  7.38500260e-80  1.29879984e-10 -2.46427520e-46
 -8.53649968e-47  1.61967100e-82]
energy per atom =  -2.765449924262656
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0