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:
ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_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 15:44:44      -37.520360         0.526969
BFGS:    1 15:44:44      -37.531808         0.486775
BFGS:    2 15:44:44      -37.584178         0.208048
BFGS:    3 15:44:44      -37.595166         0.013779
BFGS:    4 15:44:44      -37.595213         0.000353
BFGS:    5 15:44:44      -37.595213         0.000001
BFGS:    6 15:44:44      -37.595213         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.4423568328765186e-31 eV/Angstrom
Maximum stress component: 1.2144093628301819e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.37531360e-33 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 7.82940226e-33 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([[5.4040234562922524, -3.0411643385733446e-33, 1.0699244595273622e-33], [7.129016147390222e-34, 5.4040234562922524, 1.1806884439458173e-19], [7.737691640087357e-35, 1.1806884439458137e-19, 5.4040234562922524]])
forces =  [[-6.10589208e-32 -1.63748924e-31 -4.30187851e-32]
 [-2.77540549e-32 -2.77540549e-32 -3.88556769e-32]
 [-7.49359483e-32  6.38343263e-32 -4.71818934e-32]
 [-3.05294604e-32  2.44235683e-31 -5.55081098e-33]
 [ 1.11016220e-32 -1.33219464e-31  2.42847981e-32]
 [ 1.85952168e-31  2.27583250e-31 -1.16567031e-31]
 [ 5.34265557e-32 -5.41204071e-32  4.99572989e-32]
 [ 1.77625951e-31  8.88129757e-32  5.55081098e-33]]
stress =  [-1.21440936e-12 -1.21440936e-12 -1.21440936e-12  2.39845679e-28
  7.03452469e-35 -4.47705609e-52]
energy per atom =  -4.699401634770459
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0