element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3792']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.3792, 0, 0], [0, 4.3792, 0], [0, 0, 4.3792]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:17:50      -51.285217         0.196891
BFGS:    1 12:17:50      -51.286813         0.181387
BFGS:    2 12:17:50      -51.295633         0.003920
BFGS:    3 12:17:50      -51.295637         0.000076
BFGS:    4 12:17:50      -51.295637         0.000000
BFGS:    5 12:17:50      -51.295637         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.7913802220631846e-31 eV/Angstrom
Maximum stress component: 2.081412876866062e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.36002089037192, -5.00765042677634e-34, -6.277116212181365e-35], [6.361312751442564e-33, 4.36002089037192, 7.040630096636057e-20], [3.405445870466045e-34, 7.040630096636052e-20, 4.36002089037192]])
forces =  [[ 3.58276044e-32 -3.58276044e-32  3.58276044e-32]
 [-5.26217940e-32  3.58276044e-32 -3.58276044e-32]
 [-3.58276044e-32  3.58276044e-32  3.58276044e-32]
 [ 3.58276044e-32 -3.58276044e-32 -3.58276044e-32]
 [ 7.16552089e-32 -6.26983078e-32  7.16552089e-32]
 [-2.68707033e-32 -5.59806319e-33  8.95690111e-33]
 [ 8.95690111e-32  3.58276044e-32 -3.58276044e-32]
 [-6.04590825e-32 -4.25452803e-32 -1.79138022e-31]]
stress =  [-2.08141288e-14 -2.08141288e-14 -2.08141288e-14  2.26340280e-31
 -1.72906791e-33  1.47970910e-50]
energy per atom =  -6.41195456686978
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0