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_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_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 20:05:07      -50.709276         0.203714
BFGS:    1 20:05:07      -50.710989         0.188809
BFGS:    2 20:05:07      -50.721144         0.007519
BFGS:    3 20:05:07      -50.721160         0.000262
BFGS:    4 20:05:07      -50.721160         0.000000
BFGS:    5 20:05:07      -50.721160         0.000000
Minimization converged after 5 steps.
Maximum force component: 9.311231322635592e-31 eV/Angstrom
Maximum stress component: 1.5476313195407119e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.28704887e-34 1.17549435e-38 1.28407085e-34]
 [3.05612065e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.28395648e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.358174021539532, 5.4797680421744605e-36, 4.582818593180823e-34], [9.427187860042203e-34, 4.358174021539532, -1.1884460652796027e-22], [1.3645537887926716e-34, -1.1884460652796027e-22, 4.358174021539532]])
forces =  [[-3.58124282e-32 -3.58124282e-32 -5.37186422e-32]
 [ 3.58124282e-32  3.58124282e-32  3.58124282e-32]
 [ 3.58124282e-32  3.58124282e-32 -5.37186422e-32]
 [-3.58124282e-32 -3.58124282e-32  3.69315665e-32]
 [ 1.61155927e-31  5.01373994e-31 -9.94047990e-32]
 [-6.98342349e-31 -5.14803655e-31  2.55163551e-31]
 [ 4.56608459e-31  5.19280208e-31  9.31123132e-31]
 [-2.50686997e-31 -4.58846736e-31  3.22311853e-31]]
stress =  [-1.54763132e-12 -1.54763132e-12 -1.54763132e-12 -7.95079939e-29
  6.47763944e-62  6.63058237e-62]
energy per atom =  -6.340144950028704
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0