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_GW_GaoWeber_2002_SiC__SM_606253546840_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 15:32:38       -7.303062       14.4474
BFGS:    1 15:32:38       -9.205049       11.0314
BFGS:    2 15:32:38      -10.491223        7.0974
BFGS:    3 15:32:38      -11.094642        3.4373
BFGS:    4 15:32:38      -11.261336        0.5855
BFGS:    5 15:32:38      -11.272911        0.0681
BFGS:    6 15:32:38      -11.272981        0.0144
BFGS:    7 15:32:38      -11.272984        0.0063
BFGS:    8 15:32:38      -11.272987        0.0092
BFGS:    9 15:32:38      -11.272998        0.0180
BFGS:   10 15:32:38      -11.273018        0.0267
BFGS:   11 15:32:38      -11.273050        0.0334
BFGS:   12 15:32:38      -11.273077        0.0239
BFGS:   13 15:32:38      -11.273087        0.0072
BFGS:   14 15:32:38      -11.273088        0.0006
BFGS:   15 15:32:38      -11.273088        0.0001
BFGS:   16 15:32:38      -11.273088        0.0001
BFGS:   17 15:32:38      -11.273088        0.0000
BFGS:   18 15:32:38      -11.273088        0.0000
BFGS:   19 15:32:38      -11.273088        0.0000
BFGS:   20 15:32:38      -11.273088        0.0000
BFGS:   21 15:32:38      -11.273088        0.0000
Minimization converged after 21 steps.
Maximum force component: 5.174749517777857e-12 eV/Angstrom
Maximum stress component: 5.350188986300983e-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([[3.6945463401891696, 1.7886536861715934e-17, 1.022089003543173e-37], [-1.8472731700945848, 3.199570986062646, 2.383626370922874e-37], [6.035018827043693e-37, -1.1840048808436266e-35, 6.033168909921584]])
forces =  [[-1.45724159e-30 -1.72104020e-47  5.17474952e-12]
 [-1.09293119e-30 -6.31004116e-31  5.17474952e-12]
 [ 2.91448317e-30 -2.52401646e-30 -5.17474952e-12]
 [-8.50057591e-31  1.05167353e-30 -5.17474952e-12]]
stress =  [-5.35018899e-11 -5.35018899e-11 -5.00934613e-11  8.51377095e-33
  1.47462838e-32  3.51216806e-26]
energy per atom =  -2.8182719986526164
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0