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 15:34:02      -18.359209        0.4048
BFGS:    1 15:34:02      -18.363593        0.3033
BFGS:    2 15:34:02      -18.369406        0.0586
BFGS:    3 15:34:02      -18.369581        0.0349
BFGS:    4 15:34:02      -18.369680        0.0074
BFGS:    5 15:34:02      -18.369681        0.0075
BFGS:    6 15:34:02      -18.369705        0.0025
BFGS:    7 15:34:02      -18.369705        0.0006
BFGS:    8 15:34:02      -18.369705        0.0000
BFGS:    9 15:34:02      -18.369705        0.0000
BFGS:   10 15:34:02      -18.369705        0.0000
BFGS:   11 15:34:02      -18.369705        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.3006151604283041e-10 eV/Angstrom
Maximum stress component: 5.2944504373636915e-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([[3.8342315631765884, 4.417806332247953e-19, 1.1538302311471421e-36], [-1.9171157815882942, 3.320541937703043, -1.366160318995324e-36], [3.2058797147150816e-37, -2.3312942643512333e-36, 6.3181637788163885]])
forces =  [[ 3.15070352e-32 -5.45717858e-32 -1.30061516e-10]
 [ 3.15070352e-32 -5.45717858e-32 -1.30061516e-10]
 [ 2.20549247e-31  5.45717858e-32  1.30061516e-10]
 [-3.15070352e-32  5.45717858e-32  1.30061516e-10]]
stress =  [ 1.95068931e-12  1.95068931e-12 -5.29445044e-12 -1.56671262e-33
  1.41461644e-47 -1.91243448e-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