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_SiGe__MO_350526375143_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 17:32:59      -35.954408         0.451230
BFGS:    1 17:32:59      -35.972616         0.232543
BFGS:    2 17:32:59      -35.980750         0.192174
BFGS:    3 17:32:59      -35.981954         0.186230
BFGS:    4 17:32:59      -35.991120         0.142298
BFGS:    5 17:32:59      -35.993654         0.140627
BFGS:    6 17:32:59      -35.994444         0.115418
BFGS:    7 17:32:59      -35.994717         0.098663
BFGS:    8 17:32:59      -35.995366         0.057659
BFGS:    9 17:32:59      -35.996046         0.052739
BFGS:   10 17:32:59      -35.996494         0.029407
BFGS:   11 17:32:59      -35.996589         0.006931
BFGS:   12 17:32:59      -35.996597         0.001048
BFGS:   13 17:32:59      -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: 1.8718642526023446e-10 eV/Angstrom
Maximum stress component: 1.1229764414536636e-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([[6.620051101886058, -1.0605463734304096e-36, 5.066957409792125e-35], [-1.1010175357468194e-36, 6.620051101886062, -9.697984666306956e-18], [-4.1745648666485615e-33, -5.6232703838373826e-18, 3.886072211195232]])
forces =  [[ 1.87186425e-10  1.87186425e-10 -2.74372753e-28]
 [-1.87186425e-10 -1.87186425e-10  2.74169180e-28]
 [-1.87186425e-10  1.87186425e-10 -2.74205105e-28]
 [ 1.87186425e-10 -1.87186425e-10  2.74360779e-28]
 [ 1.87186425e-10  1.87186425e-10 -2.74456578e-28]
 [-1.87186425e-10 -1.87186425e-10  2.74235042e-28]
 [-1.87186425e-10  1.87186425e-10 -2.74217080e-28]
 [ 1.87186425e-10 -1.87186425e-10  2.74432628e-28]]
stress =  [ 1.12297644e-10  1.12297644e-10 -1.47068551e-11 -1.91539977e-26
 -1.67693526e-33  5.01956764e-49]
energy per atom =  -4.499574600061198
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0