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 16:29:33      -37.520360         0.526969
BFGS:    1 16:29:33      -37.531808         0.486775
BFGS:    2 16:29:33      -37.584178         0.208048
BFGS:    3 16:29:33      -37.595166         0.013779
BFGS:    4 16:29:34      -37.595213         0.000353
BFGS:    5 16:29:34      -37.595213         0.000001
BFGS:    6 16:29:34      -37.595213         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.6929973500621325e-31 eV/Angstrom
Maximum stress component: 1.2142247257514772e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.36544058e-33 1.12987852e-32 9.24770445e-33]
 [5.07161293e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.90759068e-33]
 [5.00000000e-01 1.31863617e-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([[5.404023456292253, 7.602822062212838e-34, -5.98754642923595e-33], [-8.018521011684404e-35, 5.404023456292253, 1.939693359094443e-18], [-5.7818921392264845e-33, 1.939693359094429e-18, 5.404023456292253]])
forces =  [[-8.32621648e-32 -2.22032439e-32  4.44064879e-32]
 [-7.21605428e-32 -1.69299735e-31  3.33048659e-32]
 [-3.05294604e-32  1.47096491e-31 -2.22032439e-32]
 [-2.49786494e-32  3.05294604e-32  8.04867593e-32]
 [-1.11016220e-32 -5.55081098e-32  6.10589208e-32]
 [ 1.80401357e-32  3.88556769e-32 -9.43637867e-32]
 [-1.52647302e-32 -1.24893247e-32 -1.17954733e-32]
 [-5.55081098e-32  4.85695961e-33 -4.99572989e-32]]
stress =  [-1.21422473e-12 -1.21422473e-12 -1.21422473e-12  2.95517968e-28
 -2.80604302e-61 -6.36034984e-64]
energy per atom =  -4.699401634770452
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0