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_GW_GaoWeber_2002_SiC__SM_606253546840_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 13:04:48      -51.285362         0.197063
BFGS:    1 13:04:49      -51.286961         0.181547
BFGS:    2 13:04:49      -51.295797         0.003926
BFGS:    3 13:04:49      -51.295801         0.000076
BFGS:    4 13:04:49      -51.295801         0.000000
BFGS:    5 13:04:49      -51.295801         0.000000
Minimization converged after 5 steps.
Maximum force component: 6.807215875486324e-31 eV/Angstrom
Maximum stress component: 2.4479328209806533e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[6.52023316e-38 6.26930320e-38 6.26930320e-38]
 [5.03765774e-38 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 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([[4.360002336224019, -1.2958097254045596e-33, -3.8814983289480295e-34], [3.0625815374144975e-33, 4.360002336224019, 4.160834205335252e-20], [2.7023463816929537e-33, 4.160834205335215e-20, 4.360002336224019]])
forces =  [[-4.14518270e-65  3.58274520e-32 -1.07482356e-31]
 [ 3.58274520e-32  3.58274520e-32  1.64269779e-32]
 [ 3.58274520e-32  3.58274520e-32 -1.07482356e-31]
 [ 3.62691516e-65  3.58274520e-32  1.79137260e-32]
 [-1.07482356e-31 -5.73239232e-31 -2.01438481e-32]
 [-8.95686299e-32  5.33773054e-31 -2.68705890e-32]
 [-1.05243140e-31 -6.80721588e-31 -5.37411780e-32]
 [-1.97050986e-31  4.47843150e-31  5.37411780e-32]]
stress =  [-2.44793282e-14 -2.44793282e-14 -2.44793282e-14 -6.96772306e-31
 -1.32423727e-62 -1.62396378e-63]
energy per atom =  -6.4119751184378355
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0