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:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_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 15:41:33      -18.507640         0.415171
BFGS:    1 15:41:34      -18.510821         0.350703
BFGS:    2 15:41:34      -18.517980         0.135244
BFGS:    3 15:41:34      -18.519000         0.106696
BFGS:    4 15:41:34      -18.520164         0.041633
BFGS:    5 15:41:34      -18.520230         0.040572
BFGS:    6 15:41:34      -18.520672         0.013333
BFGS:    7 15:41:34      -18.520692         0.004343
BFGS:    8 15:41:34      -18.520694         0.000197
BFGS:    9 15:41:34      -18.520694         0.000006
BFGS:   10 15:41:34      -18.520694         0.000000
BFGS:   11 15:41:34      -18.520694         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.682869394263788e-09 eV/Angstrom
Maximum stress component: 8.517818003614936e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.56249591]
 [0.66666666 0.33333334 0.06249591]
 [0.66666666 0.33333334 0.43750409]
 [0.33333333 0.66666667 0.93750409]]
cellpar =  Cell([[3.8399625744663144, 2.9554853925658387e-18, 6.144669276898747e-38], [-1.9199812872331572, 3.325505139069321, -3.233008319621018e-36], [5.331510119293289e-36, 1.2826697993256782e-35, 6.270406963474048]])
forces =  [[ 1.89324772e-31 -1.09306708e-31 -2.68286939e-09]
 [-3.47095415e-31  2.73266770e-31 -2.68286939e-09]
 [-1.89324772e-31  1.09306708e-31  2.68286939e-09]
 [ 2.20878901e-31 -5.46533540e-32  2.68286939e-09]]
stress =  [ 8.51781800e-11  8.51781800e-11 -4.13360095e-11  1.57628898e-33
  1.36510630e-33  4.21071513e-27]
energy per atom =  -4.630173425310369
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0