element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
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:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:31      -55.278310         1.942248
BFGS:    1 16:29:31      -55.273124         2.075138
BFGS:    2 16:29:31      -55.392701         0.553365
BFGS:    3 16:29:31      -55.397242         0.498332
BFGS:    4 16:29:31      -55.414989         0.179476
BFGS:    5 16:29:31      -55.417714         0.005443
BFGS:    6 16:29:31      -55.417717         0.000169
BFGS:    7 16:29:31      -55.417717         0.000103
BFGS:    8 16:29:31      -55.417717         0.000093
BFGS:    9 16:29:31      -55.417717         0.000080
BFGS:   10 16:29:31      -55.417717         0.000055
BFGS:   11 16:29:31      -55.417717         0.000012
BFGS:   12 16:29:31      -55.417717         0.000001
BFGS:   13 16:29:31      -55.417717         0.000000
BFGS:   14 16:29:31      -55.417717         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.087177544469838e-09 eV/Angstrom
Maximum stress component: 2.1539551144795395e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17431599e-01 8.17431599e-01 7.57500111e-35]
 [1.82568401e-01 1.82568401e-01 0.00000000e+00]
 [1.82568401e-01 8.17431599e-01 7.57500111e-35]
 [8.17431599e-01 1.82568401e-01 0.00000000e+00]
 [3.17431599e-01 3.17431599e-01 5.00000000e-01]
 [6.82568401e-01 6.82568401e-01 5.00000000e-01]
 [6.82568401e-01 3.17431599e-01 5.00000000e-01]
 [3.17431599e-01 6.82568401e-01 5.00000000e-01]]
cellpar =  Cell([[4.388740378668752, 3.045630750103057e-36, 2.3926079431829763e-36], [1.5018855553626708e-36, 4.388740378668752, -2.108341969270886e-18], [1.1046295339092529e-32, -1.2077098439204703e-18, 2.5424814015748214]])
forces =  [[ 2.08717754e-09  2.08717754e-09 -1.00267586e-27]
 [-2.08717754e-09 -2.08717754e-09  1.00292656e-27]
 [-2.08717754e-09  2.08717754e-09 -1.00292656e-27]
 [ 2.08717754e-09 -2.08717754e-09  1.00267586e-27]
 [ 2.08717754e-09  2.08717754e-09 -1.00261318e-27]
 [-2.08717754e-09 -2.08717754e-09  1.00280121e-27]
 [-2.08717754e-09  2.08717754e-09 -1.00280121e-27]
 [ 2.08717754e-09 -2.08717754e-09  1.00261318e-27]]
stress =  [ 1.37595632e-10  1.37595632e-10 -2.15395511e-10  6.09863890e-26
 -5.52322569e-34  7.10478450e-50]
energy per atom =  -6.927214578957421
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0