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_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== 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 15:39:44      -18.505252         0.465117
BFGS:    1 15:39:44      -18.508814         0.397357
BFGS:    2 15:39:44      -18.518786         0.116554
BFGS:    3 15:39:44      -18.519386         0.057255
BFGS:    4 15:39:44      -18.519651         0.046145
BFGS:    5 15:39:44      -18.519742         0.041984
BFGS:    6 15:39:44      -18.519949         0.025082
BFGS:    7 15:39:44      -18.519993         0.011608
BFGS:    8 15:39:44      -18.519999         0.001487
BFGS:    9 15:39:44      -18.519999         0.000077
BFGS:   10 15:39:44      -18.519999         0.000004
BFGS:   11 15:39:44      -18.519999         0.000000
BFGS:   12 15:39:44      -18.519999         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.738505278063537e-09 eV/Angstrom
Maximum stress component: 7.922513672634706e-12 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([[3.840261416543086, 2.2426570613238225e-18, 1.8310137326327146e-36], [-1.920130708271543, 3.325763943899526, 9.438863671330246e-37], [7.702295662447288e-37, 4.31857308996336e-36, 6.271120633216259]])
forces =  [[-1.89339506e-31 -1.09315215e-31 -1.73850528e-09]
 [ 3.56983860e-31  2.56207535e-31 -1.73850528e-09]
 [ 4.41792181e-31 -3.27945644e-31  1.73850528e-09]
 [ 1.47921489e-31 -2.56207535e-31  1.73850528e-09]]
stress =  [-1.51844424e-12 -1.51844424e-12  7.92251367e-12  4.92495921e-35
  8.53027958e-35  2.02338011e-28]
energy per atom =  -4.6299997999116735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0