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 15:16:44      -30.125882        11.505857
BFGS:    1 15:16:44      -31.635140         3.795698
BFGS:    2 15:16:44      -31.882132         1.094081
BFGS:    3 15:16:44      -31.912334         0.427513
BFGS:    4 15:16:44      -31.915875         0.342073
BFGS:    5 15:16:44      -31.920293         0.235576
BFGS:    6 15:16:44      -31.925306         0.274744
BFGS:    7 15:16:44      -31.928047         0.155584
BFGS:    8 15:16:44      -31.928844         0.080269
BFGS:    9 15:16:44      -31.929151         0.078100
BFGS:   10 15:16:44      -31.929605         0.083995
BFGS:   11 15:16:44      -31.930317         0.120906
BFGS:   12 15:16:44      -31.930970         0.095660
BFGS:   13 15:16:44      -31.931220         0.034009
BFGS:   14 15:16:44      -31.931252         0.003928
BFGS:   15 15:16:44      -31.931254         0.000184
BFGS:   16 15:16:44      -31.931254         0.000025
BFGS:   17 15:16:44      -31.931254         0.000001
BFGS:   18 15:16:44      -31.931254         0.000000
BFGS:   19 15:16:44      -31.931254         0.000000
Minimization converged after 19 steps.
Maximum force component: 6.062705892873055e-10 eV/Angstrom
Maximum stress component: 3.769853161561568e-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 0.00000000e+00 8.89170297e-01]
 [8.65555249e-35 2.43095155e-34 2.50000000e-01]
 [1.20229573e-34 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.1690141097852584, 4.352751364965681e-36, -8.666934201183153e-32], [1.4268697113550402e-36, 3.1690141097852598, -6.6625530156377254e-18], [-1.6095589122669745e-32, -1.4530537616129228e-17, 7.043306242133261]])
forces =  [[ 1.22065984e-33  1.25044068e-27 -6.06270589e-10]
 [-3.71080589e-31  1.25075195e-27 -6.06270589e-10]
 [ 4.88263933e-33 -1.25044068e-27  6.06270589e-10]
 [-1.56244459e-31 -1.25075317e-27  6.06270589e-10]
 [ 5.03522181e-33  6.91605271e-69 -1.37708242e-64]
 [ 1.56244459e-31  2.14607211e-67 -4.27312847e-63]]
stress =  [-1.18897834e-11 -1.18897834e-11 -3.76985316e-11 -9.63977657e-27
 -2.76114821e-33 -7.49545733e-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