element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
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.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:59:36      -34.080296        6.6437
BFGS:    1 16:59:36      -35.010156        2.6137
BFGS:    2 16:59:36      -35.231819        0.6757
BFGS:    3 16:59:36      -35.253907        0.3735
BFGS:    4 16:59:36      -35.256925        0.3134
BFGS:    5 16:59:36      -35.261355        0.2133
BFGS:    6 16:59:36      -35.266035        0.2038
BFGS:    7 16:59:36      -35.268670        0.1171
BFGS:    8 16:59:36      -35.269563        0.0987
BFGS:    9 16:59:36      -35.270099        0.1073
BFGS:   10 16:59:36      -35.271146        0.1101
BFGS:   11 16:59:36      -35.273194        0.1767
BFGS:   12 16:59:36      -35.276246        0.2066
BFGS:   13 16:59:36      -35.278719        0.1314
BFGS:   14 16:59:36      -35.279453        0.0334
BFGS:   15 16:59:36      -35.279513        0.0027
BFGS:   16 16:59:36      -35.279515        0.0002
BFGS:   17 16:59:36      -35.279515        0.0000
BFGS:   18 16:59:36      -35.279515        0.0000
BFGS:   19 16:59:36      -35.279515        0.0000
BFGS:   20 16:59:36      -35.279515        0.0000
Minimization converged after 20 steps.
Maximum force component: 7.334146623350084e-10 eV/Angstrom
Maximum stress component: 1.2653418277855565e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[1.88101072e-35 5.00000000e-01 6.10860174e-01]
 [5.00000000e-01 0.00000000e+00 1.10860174e-01]
 [3.46065537e-35 5.00000000e-01 3.89139826e-01]
 [5.00000000e-01 0.00000000e+00 8.89139826e-01]
 [0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.140998326052854, 5.844323352133288e-36, 2.363586094482014e-31], [8.630423797945286e-36, 3.1409983260528533, -2.156204717771296e-17], [1.9784103210393973e-32, -4.6496143985973375e-17, 7.1366199142275555]])
forces =  [[ 2.03316858e-42 -4.77830600e-27  7.33414662e-10]
 [ 1.54863174e-31 -4.77830600e-27  7.33414662e-10]
 [-2.03316858e-42  4.77830600e-27 -7.33414662e-10]
 [-2.03316858e-42  4.77830600e-27 -7.33414662e-10]
 [-1.54863174e-31  3.09726348e-31 -2.12618201e-48]
 [-3.09726348e-31 -3.09726348e-31 -1.75931264e-31]]
stress =  [ 8.41438275e-11  8.41438275e-11  1.26534183e-10 -9.34184146e-27
  1.57758236e-42  9.00266428e-63]
energy per atom =  -5.879919241217895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0