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:
SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005
==== 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 10:58:13      -18.506309         0.437615
BFGS:    1 10:58:13      -18.510071         0.353558
BFGS:    2 10:58:13      -18.516949         0.142366
BFGS:    3 10:58:13      -18.518300         0.113417
BFGS:    4 10:58:13      -18.519251         0.043572
BFGS:    5 10:58:13      -18.519355         0.045576
BFGS:    6 10:58:13      -18.519612         0.043335
BFGS:    7 10:58:13      -18.519836         0.037555
BFGS:    8 10:58:14      -18.519974         0.021456
BFGS:    9 10:58:14      -18.519998         0.005089
BFGS:   10 10:58:14      -18.520000         0.000276
BFGS:   11 10:58:14      -18.520000         0.000024
BFGS:   12 10:58:14      -18.520000         0.000001
BFGS:   13 10:58:14      -18.520000         0.000000
BFGS:   14 10:58:14      -18.520000         0.000000
Minimization converged after 14 steps.
Maximum force component: 7.548319384547749e-10 eV/Angstrom
Maximum stress component: 2.8197484697924845e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.8402614166096556, 2.514156501019401e-18, -8.620949456502876e-37], [-1.9201307083048278, 3.325763943957175, -2.3134188413404694e-36], [3.885003328936304e-36, 7.457415687529543e-36, 6.27112063321711]])
forces =  [[-9.46697530e-32  1.63972822e-31 -7.54831938e-10]
 [-2.52452675e-31  4.37260859e-31 -7.54831938e-10]
 [-4.41792181e-31 -1.09315215e-31  7.54831938e-10]
 [-5.04905350e-31  8.97291398e-46  7.54831938e-10]]
stress =  [ 2.81974847e-11  2.81974847e-11  1.90590946e-11  3.93996737e-34
  3.41211183e-33 -1.27686334e-26]
energy per atom =  -4.629999999911666
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0