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_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 15:17:59      -36.295633        0.5306
BFGS:    1 15:17:59      -36.318084        0.2714
BFGS:    2 15:17:59      -36.321982        0.2959
BFGS:    3 15:17:59      -36.323655        0.2842
BFGS:    4 15:17:59      -36.331666        0.1690
BFGS:    5 15:17:59      -36.336023        0.1634
BFGS:    6 15:18:00      -36.338052        0.1441
BFGS:    7 15:18:00      -36.338892        0.1182
BFGS:    8 15:18:00      -36.340267        0.0854
BFGS:    9 15:18:00      -36.342075        0.1126
BFGS:   10 15:18:00      -36.343680        0.0839
BFGS:   11 15:18:00      -36.344254        0.0288
BFGS:   12 15:18:00      -36.344328        0.0037
BFGS:   13 15:18:00      -36.344331        0.0003
BFGS:   14 15:18:00      -36.344331        0.0000
BFGS:   15 15:18:00      -36.344331        0.0000
BFGS:   16 15:18:00      -36.344331        0.0000
BFGS:   17 15:18:01      -36.344331        0.0000
BFGS:   18 15:18:01      -36.344331        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.0703691997408088e-09 eV/Angstrom
Maximum stress component: 4.664572771234924e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81904653 0.81904653 0.        ]
 [0.18095347 0.18095347 0.        ]
 [0.18095347 0.81904653 0.        ]
 [0.81904653 0.18095347 0.        ]
 [0.31904653 0.31904653 0.5       ]
 [0.68095347 0.68095347 0.5       ]
 [0.68095347 0.31904653 0.5       ]
 [0.31904653 0.68095347 0.5       ]]
cellpar =  Cell([[6.641294549362183, 5.1258843442111976e-36, -3.780952688767705e-32], [7.956969469698999e-36, 6.6412945493621836, -1.2729421619143153e-17], [-9.177962571384846e-33, -7.294606075971118e-18, 3.935620207206672]])
forces =  [[-1.07036920e-09 -1.07036920e-09  2.05158508e-27]
 [ 1.07036920e-09  1.07036920e-09 -2.05158508e-27]
 [ 1.07036920e-09 -1.07036920e-09  2.05158508e-27]
 [-1.07036920e-09  1.07036920e-09 -2.05158508e-27]
 [-1.07036920e-09 -1.07036920e-09  2.05158508e-27]
 [ 1.07036920e-09  1.07036920e-09 -2.05158508e-27]
 [ 1.07036920e-09 -1.07036920e-09  2.05158508e-27]
 [-1.07036920e-09  1.07036920e-09 -2.05158508e-27]]
stress =  [-4.27476710e-11 -4.27476710e-11 -4.66457277e-11 -1.31874203e-26
 -6.14883953e-44 -6.81686110e-60]
energy per atom =  -4.543041338158522
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0