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_ErhartAlbe_2005SiII_SiC__MO_408791041969_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 09:48:38      -35.499070         0.228418
BFGS:    1 09:48:38      -35.505704         0.245870
BFGS:    2 09:48:38      -35.515104         0.296100
BFGS:    3 09:48:38      -35.521886         0.302251
BFGS:    4 09:48:38      -35.541391         0.282078
BFGS:    5 09:48:38      -35.555522         0.218914
BFGS:    6 09:48:38      -35.560752         0.079995
BFGS:    7 09:48:38      -35.561493         0.054277
BFGS:    8 09:48:38      -35.561622         0.047791
BFGS:    9 09:48:38      -35.561741         0.039627
BFGS:   10 09:48:38      -35.561940         0.020883
BFGS:   11 09:48:38      -35.562064         0.011725
BFGS:   12 09:48:38      -35.562099         0.002920
BFGS:   13 09:48:38      -35.562101         0.000480
BFGS:   14 09:48:38      -35.562101         0.000044
BFGS:   15 09:48:38      -35.562101         0.000002
BFGS:   16 09:48:38      -35.562101         0.000000
BFGS:   17 09:48:38      -35.562101         0.000000
Minimization converged after 17 steps.
Maximum force component: 9.274493705454465e-12 eV/Angstrom
Maximum stress component: 1.8395654451869854e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81928697 0.81928697 0.        ]
 [0.18071303 0.18071303 0.        ]
 [0.18071303 0.81928697 0.        ]
 [0.81928697 0.18071303 0.        ]
 [0.31928697 0.31928697 0.5       ]
 [0.68071303 0.68071303 0.5       ]
 [0.68071303 0.31928697 0.5       ]
 [0.31928697 0.68071303 0.5       ]]
cellpar =  Cell([[6.58138631843937, 2.418938569757742e-37, -5.619699188325616e-32], [2.8018313260405223e-36, 6.581386318439371, 5.256124875745014e-18], [-3.690634603607724e-33, 3.1897238739621616e-18, 3.9382089253279364]])
forces =  [[ 9.27449371e-12  9.27449371e-12  7.45547663e-30]
 [-9.27449371e-12 -9.27449371e-12 -7.45547663e-30]
 [-9.27449371e-12  9.27449371e-12  7.40693445e-30]
 [ 9.27449371e-12 -9.27449371e-12 -7.30985011e-30]
 [ 9.27449371e-12  9.27449371e-12  7.45547663e-30]
 [-9.27449371e-12 -9.27449371e-12 -7.43120554e-30]
 [-9.27449371e-12  9.27449371e-12  7.43120554e-30]
 [ 9.27449371e-12 -9.27449371e-12 -7.33412119e-30]]
stress =  [-1.83956545e-11 -1.83956545e-11 -1.18555222e-11  1.13508123e-27
  2.37779455e-34 -3.67879127e-50]
energy per atom =  -4.445262669384677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0