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_GWZBL_Samolyuk_2016_SiC__SM_720598599889_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 15:32:39       -7.303062       14.4474
BFGS:    1 15:32:39       -9.205049       11.0314
BFGS:    2 15:32:39      -10.491223        7.0974
BFGS:    3 15:32:39      -11.094642        3.4373
BFGS:    4 15:32:39      -11.261336        0.5855
BFGS:    5 15:32:39      -11.272911        0.0681
BFGS:    6 15:32:39      -11.272981        0.0144
BFGS:    7 15:32:39      -11.272983        0.0063
BFGS:    8 15:32:39      -11.272987        0.0092
BFGS:    9 15:32:39      -11.272998        0.0180
BFGS:   10 15:32:39      -11.273018        0.0267
BFGS:   11 15:32:39      -11.273049        0.0334
BFGS:   12 15:32:39      -11.273077        0.0239
BFGS:   13 15:32:39      -11.273087        0.0072
BFGS:   14 15:32:39      -11.273088        0.0006
BFGS:   15 15:32:39      -11.273088        0.0001
BFGS:   16 15:32:39      -11.273088        0.0001
BFGS:   17 15:32:39      -11.273088        0.0000
BFGS:   18 15:32:39      -11.273088        0.0000
BFGS:   19 15:32:39      -11.273088        0.0000
BFGS:   20 15:32:39      -11.273088        0.0000
BFGS:   21 15:32:39      -11.273088        0.0000
Minimization converged after 21 steps.
Maximum force component: 5.198730335109757e-12 eV/Angstrom
Maximum stress component: 5.349508487446638e-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([[3.694546349160681, 2.3968667924058602e-17, -1.8504615508504435e-35], [-1.8472731745803406, 3.1995709938322032, -3.777871114834531e-35], [2.13971394915654e-35, 6.251634294734138e-35, 6.033168924572021]])
forces =  [[ 1.45724159e-30  8.41338824e-31  5.19873034e-12]
 [-2.42873598e-30  1.47234294e-30  5.19873034e-12]
 [-2.91448318e-30  1.68267765e-30 -5.19873034e-12]
 [ 7.28620794e-31  1.47234294e-30 -5.19873034e-12]]
stress =  [-5.34950849e-11 -5.34950849e-11 -5.00879751e-11  1.36220335e-32
  6.21193438e-46 -7.82165145e-27]
energy per atom =  -2.8182719426757923
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0