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 16:31:13      -36.295633         0.530572
BFGS:    1 16:31:13      -36.318084         0.271369
BFGS:    2 16:31:13      -36.321982         0.295865
BFGS:    3 16:31:13      -36.323655         0.284238
BFGS:    4 16:31:13      -36.331666         0.168979
BFGS:    5 16:31:13      -36.336023         0.163415
BFGS:    6 16:31:13      -36.338052         0.144094
BFGS:    7 16:31:13      -36.338892         0.118188
BFGS:    8 16:31:13      -36.340267         0.085416
BFGS:    9 16:31:13      -36.342075         0.112604
BFGS:   10 16:31:13      -36.343680         0.083890
BFGS:   11 16:31:13      -36.344254         0.028798
BFGS:   12 16:31:13      -36.344328         0.003698
BFGS:   13 16:31:13      -36.344331         0.000261
BFGS:   14 16:31:13      -36.344331         0.000024
BFGS:   15 16:31:13      -36.344331         0.000001
BFGS:   16 16:31:13      -36.344331         0.000000
BFGS:   17 16:31:13      -36.344331         0.000000
BFGS:   18 16:31:13      -36.344331         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.0703504227686444e-09 eV/Angstrom
Maximum stress component: 4.664578434765266e-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([[6.641294549362185, -1.5593415171997943e-36, 7.919837008302152e-34], [-2.3999954353755113e-36, 6.6412945493621836, -9.70307950206604e-18], [2.0875863977617615e-33, -5.639114617548801e-18, 3.935620207206673]])
forces =  [[-1.07035042e-09 -1.07035042e-09  1.56380585e-27]
 [ 1.07035042e-09  1.07035042e-09 -1.56380585e-27]
 [ 1.07035042e-09 -1.07035042e-09  1.56380585e-27]
 [-1.07035042e-09  1.07035042e-09 -1.56380585e-27]
 [-1.07035042e-09 -1.07035042e-09  1.56380585e-27]
 [ 1.07035042e-09  1.07035042e-09 -1.56380585e-27]
 [ 1.07035042e-09 -1.07035042e-09  1.56380585e-27]
 [-1.07035042e-09  1.07035042e-09 -1.56380585e-27]]
stress =  [-4.27469616e-11 -4.27469616e-11 -4.66457843e-11  8.68262843e-27
  2.35789543e-34 -5.13869980e-50]
energy per atom =  -4.543041338158521
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0