element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:16:32      -28.987598        5.9195
BFGS:    1 14:16:32      -29.542885        5.1937
BFGS:    2 14:16:32      -30.027861        4.5126
BFGS:    3 14:16:32      -30.446890        3.8737
BFGS:    4 14:16:32      -30.804113        3.2744
BFGS:    5 14:16:32      -31.103509        2.7126
BFGS:    6 14:16:32      -31.348990        2.1856
BFGS:    7 14:16:32      -31.544600        1.6911
BFGS:    8 14:16:32      -31.694924        1.2255
BFGS:    9 14:16:32      -31.805954        0.7838
BFGS:   10 14:16:32      -31.886839        0.4862
BFGS:   11 14:16:32      -31.951987        0.6595
BFGS:   12 14:16:32      -32.016831        0.8225
BFGS:   13 14:16:32      -32.086294        1.0563
BFGS:   14 14:16:32      -32.160740        1.7317
BFGS:   15 14:16:32      -32.290405        1.7495
BFGS:   16 14:16:32      -32.515450        1.6944
BFGS:   17 14:16:32      -32.716162        1.6036
BFGS:   18 14:16:32      -32.896153        1.4839
BFGS:   19 14:16:32      -33.058295        1.3491
BFGS:   20 14:16:32      -33.201542        1.1966
BFGS:   21 14:16:32      -33.325773        1.0317
BFGS:   22 14:16:32      -33.429361        0.8484
BFGS:   23 14:16:32      -33.511991        0.6571
BFGS:   24 14:16:32      -33.571186        0.4351
BFGS:   25 14:16:32      -33.607095        0.2422
BFGS:   26 14:16:32      -33.612413        0.2848
BFGS:   27 14:16:32      -33.615561        0.1487
BFGS:   28 14:16:32      -33.617317        0.0125
BFGS:   29 14:16:32      -33.617348        0.0017
BFGS:   30 14:16:32      -33.617348        0.0001
BFGS:   31 14:16:32      -33.617348        0.0000
BFGS:   32 14:16:32      -33.617348        0.0000
BFGS:   33 14:16:32      -33.617348        0.0000
Minimization converged after 33 steps.
Maximum force component: 8.132368852405606e-11 eV/Angstrom
Maximum stress component: 6.497144888137596e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.         0.         0.31316852]
 [0.         1.         0.68683148]
 [0.66666667 0.33333333 0.64650185]
 [0.66666667 0.33333333 0.02016482]
 [0.33333333 0.66666667 0.97983518]
 [0.33333333 0.66666667 0.35349815]]
cellpar =  Cell([[2.5218958360322836, -2.4303268758597908e-17, 1.8128486341444834e-18], [-1.2609479180161418, 2.1840258597021536, 1.9346539950593695e-18], [7.83308108951143e-18, 4.668217290744987e-16, 12.495767627558138]])
forces =  [[ 5.08126791e-29  3.03821758e-27  8.13236885e-11]
 [-5.08126791e-29 -3.03821758e-27 -8.13236885e-11]
 [ 5.06607091e-29  3.03828937e-27  8.13236885e-11]
 [-5.08126791e-29 -3.03821758e-27 -8.13236885e-11]
 [ 5.06468937e-29  3.03831330e-27  8.13236885e-11]
 [-5.06468937e-29 -3.03831330e-27 -8.13236885e-11]]
stress =  [ 6.49714489e-12  6.49714489e-12  1.78813210e-12 -8.56401496e-29
  4.98626450e-29  1.40409259e-27]
energy per atom =  -5.602891320579477
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0