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:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== 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 16:28:25      -38.085259         5.141390
BFGS:    1 16:28:25      -38.433627         1.186651
BFGS:    2 16:28:25      -38.462975         0.268553
BFGS:    3 16:28:25      -38.465940         0.173611
BFGS:    4 16:28:25      -38.467880         0.151564
BFGS:    5 16:28:25      -38.471912         0.181235
BFGS:    6 16:28:25      -38.472783         0.073110
BFGS:    7 16:28:25      -38.472936         0.043133
BFGS:    8 16:28:25      -38.472981         0.032815
BFGS:    9 16:28:25      -38.473087         0.044541
BFGS:   10 16:28:25      -38.473186         0.045806
BFGS:   11 16:28:25      -38.473241         0.021956
BFGS:   12 16:28:25      -38.473250         0.004109
BFGS:   13 16:28:25      -38.473251         0.000254
BFGS:   14 16:28:25      -38.473251         0.000020
BFGS:   15 16:28:25      -38.473251         0.000001
BFGS:   16 16:28:25      -38.473251         0.000000
BFGS:   17 16:28:25      -38.473251         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.743956843199074e-10 eV/Angstrom
Maximum stress component: 1.4786068047369848e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 6.04830461e-01]
 [5.00000000e-01 0.00000000e+00 1.04830461e-01]
 [0.00000000e+00 5.00000000e-01 3.95169539e-01]
 [5.00000000e-01 2.92808875e-33 8.95169539e-01]
 [0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [5.08690660e-36 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.157166504972059, -3.194610714177618e-36, -4.3179197452910313e-32], [-1.7489485433384157e-37, 3.15716650497206, 9.555029717424831e-18], [-7.856883962411771e-33, 2.067355433587835e-17, 6.870402108107845]])
forces =  [[-4.28153025e-43  1.12658465e-27  3.74395684e-10]
 [-4.28153025e-43  1.12658465e-27  3.74395684e-10]
 [ 4.28153025e-43 -1.12658465e-27 -3.74395684e-10]
 [ 4.28153025e-43 -1.12658465e-27 -3.74395684e-10]
 [ 3.11320653e-31  1.55660327e-31  4.71099337e-49]
 [ 1.55660327e-31 -2.33490490e-31  8.46842442e-32]]
stress =  [ 4.33776424e-12  4.33776424e-12 -1.47860680e-11 -2.21304574e-28
 -2.27300718e-33 -4.12379530e-65]
energy per atom =  -6.412208451212149
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0