element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:34      -18.359209         0.404808
BFGS:    1 15:41:34      -18.363593         0.303336
BFGS:    2 15:41:34      -18.369406         0.058568
BFGS:    3 15:41:34      -18.369581         0.034918
BFGS:    4 15:41:34      -18.369680         0.007418
BFGS:    5 15:41:34      -18.369681         0.007479
BFGS:    6 15:41:34      -18.369705         0.002525
BFGS:    7 15:41:34      -18.369705         0.000612
BFGS:    8 15:41:34      -18.369705         0.000020
BFGS:    9 15:41:34      -18.369705         0.000000
BFGS:   10 15:41:34      -18.369705         0.000000
BFGS:   11 15:41:34      -18.369705         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.300591744673904e-10 eV/Angstrom
Maximum stress component: 5.295415865077388e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.56331324]
 [0.66666666 0.33333334 0.06331324]
 [0.66666666 0.33333334 0.43668676]
 [0.33333333 0.66666667 0.93668676]]
cellpar =  Cell([[3.834231563176586, 4.749722778342072e-20, 9.460512745340808e-37], [-1.917115781588293, 3.320541937703042, 2.538434169512337e-36], [-1.0679107341976556e-36, -4.2383821580831626e-36, 6.3181637788163885]])
forces =  [[ 6.30140705e-32 -1.09143572e-31 -1.30059174e-10]
 [ 1.26028141e-31 -6.54861430e-31 -1.30059174e-10]
 [ 6.30140705e-32 -1.09143572e-31  1.30059174e-10]
 [ 1.26028141e-31  2.18287143e-31  1.30059174e-10]]
stress =  [ 1.94948270e-12  1.94948270e-12 -5.29541587e-12 -4.30845972e-33
 -1.96715483e-48 -3.77223419e-28]
energy per atom =  -4.59242634433794
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0