element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:43      -35.539089        5.1878
BFGS:    1 17:16:43      -37.958507        7.4175
BFGS:    2 17:16:43      -40.682248        5.3550
BFGS:    3 17:16:43      -41.291611        4.6603
BFGS:    4 17:16:43      -41.803936        4.2320
BFGS:    5 17:16:43      -42.305777        3.7691
BFGS:    6 17:16:43      -42.765410        3.3254
BFGS:    7 17:16:43      -43.180886        2.9034
BFGS:    8 17:16:43      -43.552211        2.5031
BFGS:    9 17:16:43      -43.879703        2.1241
BFGS:   10 17:16:43      -44.163898        1.7660
BFGS:   11 17:16:43      -44.405529        1.4283
BFGS:   12 17:16:43      -44.602905        1.1150
BFGS:   13 17:16:43      -44.758121        0.8257
BFGS:   14 17:16:43      -44.874301        0.5591
BFGS:   15 17:16:43      -44.954382        0.3661
BFGS:   16 17:16:43      -45.001207        0.2221
BFGS:   17 17:16:43      -45.017799        0.1140
BFGS:   18 17:16:43      -45.018233        0.1289
BFGS:   19 17:16:43      -45.019211        0.1465
BFGS:   20 17:16:43      -45.021298        0.1596
BFGS:   21 17:16:43      -45.024995        0.1487
BFGS:   22 17:16:43      -45.028848        0.0989
BFGS:   23 17:16:43      -45.031107        0.0408
BFGS:   24 17:16:43      -45.031445        0.0108
BFGS:   25 17:16:43      -45.031470        0.0007
BFGS:   26 17:16:43      -45.031471        0.0001
BFGS:   27 17:16:43      -45.031471        0.0000
BFGS:   28 17:16:43      -45.031471        0.0000
BFGS:   29 17:16:43      -45.031471        0.0000
Minimization converged after 29 steps.
Maximum force component: 2.329095961234318e-09 eV/Angstrom
Maximum stress component: 2.189123490252128e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81924993 0.81924993 0.        ]
 [0.18075007 0.18075007 0.        ]
 [0.18075007 0.81924993 0.        ]
 [0.81924993 0.18075007 0.        ]
 [0.31924993 0.31924993 0.5       ]
 [0.68075007 0.68075007 0.5       ]
 [0.68075007 0.31924993 0.5       ]
 [0.31924993 0.68075007 0.5       ]]
cellpar =  Cell([[4.870859285656465, 7.969987196059695e-36, 7.677600758744353e-33], [-2.447620552523257e-35, 4.870859285656464, 2.0812031760734866e-17], [4.388098113468772e-33, 1.2079777860277075e-17, 2.7087809853843385]])
forces =  [[-2.32909596e-09 -2.32909596e-09 -9.95181072e-27]
 [ 2.32909596e-09  2.32909596e-09  9.95164032e-27]
 [ 2.32909596e-09 -2.32909596e-09 -9.95165212e-27]
 [-2.32909596e-09  2.32909596e-09  9.95154361e-27]
 [-2.32909596e-09 -2.32909596e-09 -9.95187749e-27]
 [ 2.32909596e-09  2.32909596e-09  9.95177733e-27]
 [ 2.32909596e-09 -2.32909596e-09 -9.95154361e-27]
 [-2.32909596e-09  2.32909596e-09  9.95171838e-27]]
stress =  [-2.18912349e-10 -2.18912349e-10  6.40815657e-11 -5.20557448e-27
  3.86732698e-43  5.74542116e-59]
energy per atom =  -5.628933846975644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0