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 17:28:57      -35.539089         5.187772
BFGS:    1 17:28:57      -37.958507         7.417451
BFGS:    2 17:28:57      -40.682248         5.355031
BFGS:    3 17:28:57      -41.291611         4.660341
BFGS:    4 17:28:57      -41.803936         4.231980
BFGS:    5 17:28:57      -42.305777         3.769080
BFGS:    6 17:28:57      -42.765410         3.325362
BFGS:    7 17:28:57      -43.180886         2.903419
BFGS:    8 17:28:57      -43.552211         2.503115
BFGS:    9 17:28:58      -43.879703         2.124119
BFGS:   10 17:28:58      -44.163898         1.766023
BFGS:   11 17:28:58      -44.405529         1.428340
BFGS:   12 17:28:58      -44.602905         1.114952
BFGS:   13 17:28:58      -44.758121         0.825717
BFGS:   14 17:28:58      -44.874301         0.559073
BFGS:   15 17:28:58      -44.954382         0.366140
BFGS:   16 17:28:58      -45.001207         0.222081
BFGS:   17 17:28:58      -45.017799         0.114005
BFGS:   18 17:28:58      -45.018233         0.128930
BFGS:   19 17:28:58      -45.019211         0.146540
BFGS:   20 17:28:58      -45.021298         0.159588
BFGS:   21 17:28:58      -45.024995         0.148719
BFGS:   22 17:28:58      -45.028848         0.098855
BFGS:   23 17:28:58      -45.031107         0.040777
BFGS:   24 17:28:58      -45.031445         0.010776
BFGS:   25 17:28:59      -45.031470         0.000725
BFGS:   26 17:28:59      -45.031471         0.000087
BFGS:   27 17:28:59      -45.031471         0.000003
BFGS:   28 17:28:59      -45.031471         0.000000
BFGS:   29 17:28:59      -45.031471         0.000000
Minimization converged after 29 steps.
Maximum force component: 2.329140887102899e-09 eV/Angstrom
Maximum stress component: 2.1891639835124416e-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([[4.870859285656463, 5.86218948256127e-36, -1.5017789533444458e-32], [4.5769900451580574e-36, 4.870859285656462, -4.6264515131175544e-17], [-8.856078814146655e-34, -2.7039302630865652e-17, 2.7087809853843408]])
forces =  [[-2.32914089e-09 -2.32914089e-09  2.21226864e-26]
 [ 2.32914089e-09  2.32914089e-09 -2.21225028e-26]
 [ 2.32914089e-09 -2.32914089e-09  2.21225111e-26]
 [-2.32914089e-09  2.32914089e-09 -2.21227031e-26]
 [-2.32914089e-09 -2.32914089e-09  2.21227031e-26]
 [ 2.32914089e-09  2.32914089e-09 -2.21224861e-26]
 [ 2.32914089e-09 -2.32914089e-09  2.21225028e-26]
 [-2.32914089e-09  2.32914089e-09 -2.21227114e-26]]
stress =  [-2.18916398e-10 -2.18916398e-10  6.40832518e-11 -4.38540498e-26
  7.47361929e-33  5.54563317e-49]
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