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 16:25:19      -34.080296         6.643743
BFGS:    1 16:25:19      -35.010156         2.613719
BFGS:    2 16:25:19      -35.231819         0.675713
BFGS:    3 16:25:19      -35.253907         0.373501
BFGS:    4 16:25:19      -35.256925         0.313420
BFGS:    5 16:25:19      -35.261355         0.213318
BFGS:    6 16:25:19      -35.266035         0.203800
BFGS:    7 16:25:19      -35.268670         0.117122
BFGS:    8 16:25:19      -35.269563         0.098663
BFGS:    9 16:25:19      -35.270099         0.107303
BFGS:   10 16:25:19      -35.271146         0.110056
BFGS:   11 16:25:19      -35.273194         0.176718
BFGS:   12 16:25:19      -35.276246         0.206610
BFGS:   13 16:25:19      -35.278719         0.131413
BFGS:   14 16:25:19      -35.279453         0.033392
BFGS:   15 16:25:19      -35.279513         0.002717
BFGS:   16 16:25:19      -35.279515         0.000187
BFGS:   17 16:25:19      -35.279515         0.000027
BFGS:   18 16:25:19      -35.279515         0.000001
BFGS:   19 16:25:19      -35.279515         0.000000
BFGS:   20 16:25:19      -35.279515         0.000000
Minimization converged after 20 steps.
Maximum force component: 7.334397533753645e-10 eV/Angstrom
Maximum stress component: 1.2653335021740406e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[3.47931576e-35 5.00000000e-01 6.10860174e-01]
 [5.00000000e-01 0.00000000e+00 1.10860174e-01]
 [1.11718983e-34 5.00000000e-01 3.89139826e-01]
 [5.00000000e-01 0.00000000e+00 8.89139826e-01]
 [0.00000000e+00 9.81053662e-34 2.50000000e-01]
 [5.80694204e-35 1.96210732e-33 7.50000000e-01]]
cellpar =  Cell([[3.140998326052852, 8.167455389897252e-36, -1.3365794336428082e-31], [5.1387108840643136e-36, 3.140998326052851, 2.5756269654834556e-17], [4.3260598489085356e-32, 5.747264770857707e-17, 7.136619914227561]])
forces =  [[ 4.44594823e-42  5.90653910e-27  7.33439753e-10]
 [ 4.44594823e-42  5.90653910e-27  7.33439753e-10]
 [-4.44594823e-42 -5.90650038e-27 -7.33439753e-10]
 [-3.87157935e-32 -5.90653910e-27 -7.33439753e-10]
 [-6.33395019e-68 -3.87157935e-32 -3.17470534e-49]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 8.41435103e-11  8.41435103e-11  1.26533350e-10 -3.19183255e-26
  3.44957155e-42 -8.70139430e-58]
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