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_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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 17:26:48      -30.125882        11.505857
BFGS:    1 17:26:48      -31.635140         3.795698
BFGS:    2 17:26:48      -31.882132         1.094081
BFGS:    3 17:26:48      -31.912334         0.427513
BFGS:    4 17:26:48      -31.915875         0.342073
BFGS:    5 17:26:48      -31.920293         0.235576
BFGS:    6 17:26:48      -31.925306         0.274744
BFGS:    7 17:26:48      -31.928047         0.155584
BFGS:    8 17:26:48      -31.928844         0.080269
BFGS:    9 17:26:48      -31.929151         0.078100
BFGS:   10 17:26:48      -31.929605         0.083995
BFGS:   11 17:26:48      -31.930317         0.120906
BFGS:   12 17:26:49      -31.930970         0.095660
BFGS:   13 17:26:49      -31.931220         0.034009
BFGS:   14 17:26:49      -31.931252         0.003928
BFGS:   15 17:26:49      -31.931254         0.000184
BFGS:   16 17:26:49      -31.931254         0.000025
BFGS:   17 17:26:49      -31.931254         0.000001
BFGS:   18 17:26:49      -31.931254         0.000000
BFGS:   19 17:26:49      -31.931254         0.000000
Minimization converged after 19 steps.
Maximum force component: 6.062590429678495e-10 eV/Angstrom
Maximum stress component: 3.769760242035467e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 6.10829703e-01]
 [5.00000000e-01 0.00000000e+00 1.10829703e-01]
 [0.00000000e+00 5.00000000e-01 3.89170297e-01]
 [5.00000000e-01 9.72380622e-34 8.89170297e-01]
 [0.00000000e+00 3.64642733e-34 2.50000000e-01]
 [6.72327671e-36 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.169014109785259, -3.7127514365558396e-36, -6.45062118743762e-33], [2.3287560561924067e-37, 3.169014109785259, 4.352043014390906e-18], [-3.092791391510128e-32, 9.109574298317852e-18, 7.043306242133264]])
forces =  [[ 2.66214855e-42 -7.84114961e-28 -6.06259043e-10]
 [ 1.56244459e-31 -7.84114961e-28 -6.06259043e-10]
 [-2.66214855e-42  7.83958716e-28  6.06259043e-10]
 [ 7.81222294e-32  7.84114961e-28  6.06259043e-10]
 [-1.56244459e-31  3.12488917e-31 -1.62778973e-31]
 [ 4.68733376e-31 -3.12488917e-31 -4.29144574e-49]]
stress =  [-1.18895891e-11 -1.18895891e-11 -3.76976024e-11  1.53501688e-26
 -2.20891857e-33  8.99454880e-49]
energy per atom =  -5.3218755851170885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0