element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:13      -35.954408         0.451230
BFGS:    1 16:31:13      -35.972616         0.232543
BFGS:    2 16:31:13      -35.980749         0.192174
BFGS:    3 16:31:13      -35.981954         0.186230
BFGS:    4 16:31:13      -35.991120         0.142298
BFGS:    5 16:31:13      -35.993654         0.140627
BFGS:    6 16:31:13      -35.994444         0.115418
BFGS:    7 16:31:13      -35.994717         0.098663
BFGS:    8 16:31:13      -35.995366         0.057659
BFGS:    9 16:31:13      -35.996046         0.052739
BFGS:   10 16:31:13      -35.996493         0.029407
BFGS:   11 16:31:13      -35.996589         0.006931
BFGS:   12 16:31:13      -35.996597         0.001048
BFGS:   13 16:31:13      -35.996597         0.000052
BFGS:   14 16:31:13      -35.996597         0.000003
BFGS:   15 16:31:13      -35.996597         0.000000
BFGS:   16 16:31:13      -35.996597         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.8716383651251616e-10 eV/Angstrom
Maximum stress component: 1.1229612310943667e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19123130e-01 8.19123130e-01 7.43397121e-35]
 [1.80876870e-01 1.80876870e-01 1.85849280e-35]
 [1.80876870e-01 8.19123130e-01 1.11509568e-34]
 [8.19123130e-01 1.80876870e-01 2.47799040e-35]
 [3.19123130e-01 3.19123130e-01 5.00000000e-01]
 [6.80876870e-01 6.80876870e-01 5.00000000e-01]
 [6.80876870e-01 3.19123130e-01 5.00000000e-01]
 [3.19123130e-01 6.80876870e-01 5.00000000e-01]]
cellpar =  Cell([[6.6200511345484285, -4.953824324447689e-36, -1.1108598476916295e-32], [-3.856285676688425e-36, 6.620051134548429, 3.9067947853803187e-19], [-4.626448097522527e-33, 2.201463299769847e-19, 3.8860722409476725]])
forces =  [[ 1.87163837e-10  1.87163837e-10  1.10693433e-29]
 [-1.87163837e-10 -1.87163837e-10 -1.10693433e-29]
 [-1.87163837e-10  1.87163837e-10  1.10453935e-29]
 [ 1.87163837e-10 -1.87163837e-10 -1.10453935e-29]
 [ 1.87163837e-10  1.87163837e-10  1.10753308e-29]
 [-1.87163837e-10 -1.87163837e-10 -1.10693433e-29]
 [-1.87163837e-10  1.87163837e-10  1.10453935e-29]
 [ 1.87163837e-10 -1.87163837e-10 -1.10453935e-29]]
stress =  [ 1.12296123e-10  1.12296123e-10 -1.47054549e-11  1.09720967e-26
  9.58248706e-34 -1.43416217e-49]
energy per atom =  -4.499574581841022
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0