element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:30:05      -37.018404        0.2536
BFGS:    1 17:30:06      -37.021074        0.2378
BFGS:    2 17:30:06      -37.039953        0.0114
BFGS:    3 17:30:06      -37.039994        0.0004
BFGS:    4 17:30:06      -37.039994        0.0000
BFGS:    5 17:30:06      -37.039994        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.456851742092501e-31 eV/Angstrom
Maximum stress component: 1.977492403369652e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.53828981e-33 0.00000000e+00 0.00000000e+00]
 [1.23901497e-32 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.42900004101762, -1.89205247130818e-34, 2.80632366437287e-33], [3.3106053477322357e-34, 5.42900004101762, 3.5586143866986427e-19], [9.441710387765508e-35, 3.558614386698645e-19, 5.42900004101762]])
forces =  [[-2.64882135e-32 -6.20381842e-32  6.13411260e-32]
 [-1.74264562e-34 -5.57646600e-33  3.55499707e-32]
 [-5.57646600e-32  2.23058640e-32  3.34587960e-32]
 [-2.78823300e-32 -4.46117280e-32 -5.57646600e-33]
 [ 4.46117280e-32 -2.23058640e-32  3.90352620e-32]
 [ 6.27352425e-33  8.92234560e-32  2.23058640e-32]
 [-6.20381842e-32 -9.75881550e-32 -1.45685174e-31]
 [-7.62478788e-66 -1.05952854e-31 -6.69175920e-32]]
stress =  [ 1.97749240e-12  1.97749240e-12  1.97749240e-12 -9.27824765e-28
 -1.74248693e-35  1.96894934e-51]
energy per atom =  -4.629999292346357
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0