element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:13      -52.343422         0.121654
BFGS:    1 16:34:14      -52.344043         0.116572
BFGS:    2 16:34:14      -52.350923         0.002238
BFGS:    3 16:34:14      -52.350926         0.000040
BFGS:    4 16:34:14      -52.350926         0.000000
BFGS:    5 16:34:14      -52.350926         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.047276975908381e-30 eV/Angstrom
Maximum stress component: 3.116693445172405e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 4.48623229e-37 5.00000000e-01]
 [7.50000000e-01 7.32512009e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.66211142e-33 7.50000000e-01]
 [5.00000000e-01 3.66233573e-33 2.50000000e-01]]
cellpar =  Cell([[6.707779134899188, -2.4503176541923516e-33, -4.201886364511165e-33], [-1.5315034576322762e-33, 6.707779134899188, -3.31152239159838e-20], [7.933513529389743e-34, -3.311522391608589e-20, 6.707779134899188]])
forces =  [[ 1.30909622e-31 -4.67702410e-53  9.47372264e-33]
 [ 5.51198408e-32 -3.40147207e-53  6.88998010e-33]
 [ 6.88998010e-33  1.04727698e-30 -4.30623757e-34]
 [ 4.89834523e-33 -3.85838886e-31  1.42105840e-32]
 [-4.97908719e-34  6.45935635e-33 -8.39716325e-31]
 [ 7.82871819e-65  6.88998010e-33  6.75218050e-31]
 [ 4.73686132e-33  2.82489184e-31  1.37799602e-32]
 [ 8.07419544e-33 -1.37799602e-32  9.00011600e-33]
 [ 1.20574652e-32  2.58374254e-33  5.81342071e-33]
 [ 1.03349702e-31  6.88998010e-33  8.61247513e-33]
 [ 6.88998010e-33  6.88998010e-33  2.34259324e-31]
 [ 8.61247513e-33  6.88998010e-33 -4.06508826e-31]]
stress =  [-3.11669345e-15 -3.11669345e-15 -3.11669345e-15 -2.04935842e-31
  9.13149102e-35  1.57808942e-50]
energy per atom =  -4.362577148373318
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0