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 17:34:53      -52.343422        0.1217
BFGS:    1 17:34:53      -52.344043        0.1166
BFGS:    2 17:34:53      -52.350923        0.0022
BFGS:    3 17:34:53      -52.350926        0.0000
BFGS:    4 17:34:53      -52.350926        0.0000
BFGS:    5 17:34:53      -52.350926        0.0000
Minimization converged after 5 steps.
Maximum force component: 5.925382890007945e-31 eV/Angstrom
Maximum stress component: 3.2893389865526385e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.32521232e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [5.10025563e-50 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.02005113e-49 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 3.42272361e-42]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.66260616e-33 7.50000000e-01]
 [5.00000000e-01 3.66260616e-33 2.50000000e-01]]
cellpar =  Cell([[6.707779134899187, -7.810483600261008e-33, 2.9172721994839907e-34], [-4.901059238380083e-33, 6.707779134899187, 2.4796605313130327e-25], [7.215472836232599e-34, 2.479659551666665e-25, 6.707779134899187]])
forces =  [[ 2.06699403e-32 -1.37799602e-32  2.36843066e-33]
 [-7.57897812e-32  9.47372264e-33  6.88998010e-33]
 [ 3.80397776e-64 -5.23638488e-31 -2.04546284e-32]
 [ 6.88998010e-33  4.89188587e-31  1.37799602e-32]
 [-1.37799602e-32  2.58374254e-33  2.75599204e-31]
 [ 6.88998010e-33 -7.10529198e-33 -3.10049105e-31]
 [-1.87321334e-32 -5.51198408e-31  1.37799602e-32]
 [-1.53990134e-64  2.06699403e-31 -2.75599204e-32]
 [-2.75599204e-32  1.33493365e-32 -2.06699403e-32]
 [ 1.29187127e-32 -1.24880889e-32  1.72249503e-33]
 [-1.37799602e-32  8.61247513e-34 -5.92538289e-31]
 [ 1.03349702e-32  9.16924911e-57  2.48039284e-31]]
stress =  [-3.28933899e-15 -3.28933899e-15 -3.28933899e-15 -5.39492642e-33
  6.84861826e-35  2.32170928e-52]
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