element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:53:12      -70.838715         0.201162
BFGS:    1 15:53:12      -70.840551         0.192983
BFGS:    2 15:53:12      -70.855099         0.113059
BFGS:    3 15:53:12      -70.858458         0.111244
BFGS:    4 15:53:12      -70.866893         0.037119
BFGS:    5 15:53:12      -70.867360         0.008054
BFGS:    6 15:53:12      -70.867392         0.000257
BFGS:    7 15:53:12      -70.867392         0.000007
BFGS:    8 15:53:12      -70.867392         0.000000
BFGS:    9 15:53:12      -70.867392         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.0401530036591169e-09 eV/Angstrom
Maximum stress component: 5.96625253382632e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.10160118 0.10160118 0.10160118]
 [0.39839882 0.89839882 0.60160118]
 [0.89839882 0.60160118 0.39839882]
 [0.60160118 0.39839882 0.89839882]
 [0.60160118 0.60160118 0.60160118]
 [0.89839882 0.39839882 0.10160118]
 [0.39839882 0.10160118 0.89839882]
 [0.10160118 0.89839882 0.39839882]
 [0.89839882 0.89839882 0.89839882]
 [0.60160118 0.10160118 0.39839882]
 [0.10160118 0.39839882 0.60160118]
 [0.39839882 0.60160118 0.10160118]
 [0.39839882 0.39839882 0.39839882]
 [0.10160118 0.60160118 0.89839882]
 [0.60160118 0.89839882 0.10160118]
 [0.89839882 0.10160118 0.60160118]]
cellpar =  Cell([[6.617036701135155, -6.037009417652272e-37, 0.0], [4.52802073069475e-37, 6.617036701135155, 0.0], [0.0, 0.0, 6.617036701135155]])
forces =  [[-1.040153e-09 -1.040153e-09 -1.040153e-09]
 [ 1.040153e-09  1.040153e-09 -1.040153e-09]
 [ 1.040153e-09 -1.040153e-09  1.040153e-09]
 [-1.040153e-09  1.040153e-09  1.040153e-09]
 [-1.040153e-09 -1.040153e-09 -1.040153e-09]
 [ 1.040153e-09  1.040153e-09 -1.040153e-09]
 [ 1.040153e-09 -1.040153e-09  1.040153e-09]
 [-1.040153e-09  1.040153e-09  1.040153e-09]
 [ 1.040153e-09  1.040153e-09  1.040153e-09]
 [-1.040153e-09 -1.040153e-09  1.040153e-09]
 [-1.040153e-09  1.040153e-09 -1.040153e-09]
 [ 1.040153e-09 -1.040153e-09 -1.040153e-09]
 [ 1.040153e-09  1.040153e-09  1.040153e-09]
 [-1.040153e-09 -1.040153e-09  1.040153e-09]
 [-1.040153e-09  1.040153e-09 -1.040153e-09]
 [ 1.040153e-09 -1.040153e-09 -1.040153e-09]]
stress =  [5.96625253e-11 5.96625253e-11 5.96625253e-11 0.00000000e+00
 0.00000000e+00 3.75346274e-34]
energy per atom =  -4.429212015969963
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0