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:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_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 14:38:35      -18.505843         0.430894
BFGS:    1 14:38:35      -18.509153         0.366867
BFGS:    2 14:38:35      -18.517544         0.154520
BFGS:    3 14:38:35      -18.518724         0.106192
BFGS:    4 14:38:35      -18.519532         0.043721
BFGS:    5 14:38:35      -18.519605         0.042252
BFGS:    6 14:38:35      -18.519962         0.018332
BFGS:    7 14:38:35      -18.519994         0.007281
BFGS:    8 14:38:35      -18.519997         0.000563
BFGS:    9 14:38:35      -18.519997         0.000020
BFGS:   10 14:38:35      -18.519997         0.000001
BFGS:   11 14:38:35      -18.519997         0.000000
BFGS:   12 14:38:35      -18.519997         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.152975823818906e-10 eV/Angstrom
Maximum stress component: 1.55726798307656e-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([[3.8388827440846165, 3.1008969819974686e-18, -3.352463613650828e-37], [-1.9194413720423082, 3.324569978526992, -1.6472282866699635e-37], [1.3494118905073155e-36, 9.673444699876559e-36, 6.268869270230548]])
forces =  [[-3.78543065e-31  2.18551940e-31 -5.15297582e-10]
 [ 2.68134671e-31 -3.55146903e-31 -5.15297582e-10]
 [ 6.30905108e-31 -2.18551940e-31  5.15297582e-10]
 [-2.05044160e-31  2.45870933e-31  5.15297582e-10]]
stress =  [ 1.55726798e-11  1.55726798e-11 -4.92452197e-12 -5.42134701e-34
 -9.39004847e-34 -2.92065806e-27]
energy per atom =  -4.6299992923463575
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0