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:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== 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 17:33:00      -35.954408         0.451230
BFGS:    1 17:33:00      -35.972616         0.232543
BFGS:    2 17:33:00      -35.980750         0.192174
BFGS:    3 17:33:00      -35.981954         0.186230
BFGS:    4 17:33:00      -35.991120         0.142298
BFGS:    5 17:33:00      -35.993654         0.140627
BFGS:    6 17:33:00      -35.994444         0.115418
BFGS:    7 17:33:00      -35.994717         0.098663
BFGS:    8 17:33:00      -35.995366         0.057659
BFGS:    9 17:33:00      -35.996046         0.052739
BFGS:   10 17:33:00      -35.996494         0.029407
BFGS:   11 17:33:00      -35.996589         0.006931
BFGS:   12 17:33:00      -35.996597         0.001048
BFGS:   13 17:33:00      -35.996597         0.000052
BFGS:   14 17:33:00      -35.996597         0.000003
BFGS:   15 17:33:00      -35.996597         0.000000
BFGS:   16 17:33:00      -35.996597         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.8718651251599822e-10 eV/Angstrom
Maximum stress component: 1.1229831240938175e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81912313 0.81912313 0.        ]
 [0.18087687 0.18087687 0.        ]
 [0.18087687 0.81912313 0.        ]
 [0.81912313 0.18087687 0.        ]
 [0.31912313 0.31912313 0.5       ]
 [0.68087687 0.68087687 0.5       ]
 [0.68087687 0.31912313 0.5       ]
 [0.31912313 0.68087687 0.5       ]]
cellpar =  Cell([[6.6200511018860615, 9.364882137910558e-37, -1.4705134729506347e-33], [6.403167548509781e-37, 6.620051101886062, -2.0231430297496113e-18], [7.461392285353114e-33, -1.1765776707707943e-18, 3.8860722111952373]])
forces =  [[ 1.87186513e-10  1.87186513e-10 -5.73255139e-29]
 [-1.87186513e-10 -1.87186513e-10  5.70141669e-29]
 [-1.87186513e-10  1.87186513e-10 -5.70620665e-29]
 [ 1.87186513e-10 -1.87186513e-10  5.73494637e-29]
 [ 1.87186513e-10  1.87186513e-10 -5.73015641e-29]
 [-1.87186513e-10 -1.87186513e-10  5.69902171e-29]
 [-1.87186513e-10  1.87186513e-10 -5.69857266e-29]
 [ 1.87186513e-10 -1.87186513e-10  5.72536646e-29]]
stress =  [ 1.12298312e-10  1.12298312e-10 -1.47051595e-11  1.93222699e-26
 -2.25345837e-43 -2.93712883e-59]
energy per atom =  -4.499574600061196
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0