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 17:20:34      -35.954408        0.4512
BFGS:    1 17:20:34      -35.972616        0.2325
BFGS:    2 17:20:34      -35.980749        0.1922
BFGS:    3 17:20:34      -35.981954        0.1862
BFGS:    4 17:20:34      -35.991120        0.1423
BFGS:    5 17:20:34      -35.993654        0.1406
BFGS:    6 17:20:34      -35.994444        0.1154
BFGS:    7 17:20:34      -35.994717        0.0987
BFGS:    8 17:20:34      -35.995366        0.0577
BFGS:    9 17:20:34      -35.996046        0.0527
BFGS:   10 17:20:34      -35.996493        0.0294
BFGS:   11 17:20:34      -35.996589        0.0069
BFGS:   12 17:20:34      -35.996597        0.0010
BFGS:   13 17:20:34      -35.996597        0.0001
BFGS:   14 17:20:34      -35.996597        0.0000
BFGS:   15 17:20:34      -35.996597        0.0000
BFGS:   16 17:20:34      -35.996597        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.871449002710524e-10 eV/Angstrom
Maximum stress component: 1.1229581020056491e-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 7.92956929e-34]
 [1.80876870e-01 1.80876870e-01 4.95598081e-35]
 [1.80876870e-01 8.19123130e-01 7.92956929e-34]
 [8.19123130e-01 1.80876870e-01 9.91196162e-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([[6.62005113454843, 1.13564717934592e-36, 2.2265270800087177e-32], [-1.3529462331831206e-36, 6.6200511345484285, 6.8710975658679335e-18], [1.398485417723332e-32, 3.975400235271627e-18, 3.88607224094767]])
forces =  [[ 1.87144900e-10  1.87144900e-10  1.94241833e-28]
 [-1.87144900e-10 -1.87144900e-10 -1.94241833e-28]
 [-1.87144900e-10  1.87144900e-10  1.94241833e-28]
 [ 1.87144900e-10 -1.87144900e-10 -1.94193934e-28]
 [ 1.87144900e-10  1.87144900e-10  1.94228362e-28]
 [-1.87144900e-10 -1.87144900e-10 -1.94241833e-28]
 [-1.87144900e-10  1.87144900e-10  1.94241833e-28]
 [ 1.87144900e-10 -1.87144900e-10 -1.94193934e-28]]
stress =  [ 1.12295810e-10  1.12295810e-10 -1.47057574e-11 -1.17930729e-26
 -3.71170073e-34  1.70183322e-50]
energy per atom =  -4.499574581841025
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0