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_2005SiII_SiC__MO_408791041969_004
==== 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      -55.278309         1.942248
BFGS:    1 16:29:31      -55.273123         2.075138
BFGS:    2 16:29:31      -55.392701         0.553365
BFGS:    3 16:29:31      -55.397241         0.498332
BFGS:    4 16:29:31      -55.414989         0.179476
BFGS:    5 16:29:31      -55.417713         0.005443
BFGS:    6 16:29:31      -55.417716         0.000169
BFGS:    7 16:29:31      -55.417716         0.000103
BFGS:    8 16:29:31      -55.417716         0.000093
BFGS:    9 16:29:31      -55.417716         0.000080
BFGS:   10 16:29:31      -55.417716         0.000055
BFGS:   11 16:29:31      -55.417716         0.000012
BFGS:   12 16:29:31      -55.417716         0.000001
BFGS:   13 16:29:31      -55.417716         0.000000
BFGS:   14 16:29:31      -55.417716         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.0872964252732638e-09 eV/Angstrom
Maximum stress component: 2.1540045869443588e-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 1.32562519e-34]
 [1.82568401e-01 1.82568401e-01 4.26093812e-35]
 [1.82568401e-01 8.17431599e-01 1.32562519e-34]
 [8.17431599e-01 1.82568401e-01 5.68125083e-35]
 [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([[4.388740383770661, 2.7855480692544466e-36, -4.849855480779183e-33], [1.3589134824183808e-36, 4.388740383770663, 3.48971086106662e-19], [1.40420388929248e-32, 2.110682122692448e-19, 2.5424814046024204]])
forces =  [[ 2.08729643e-09  2.08729643e-09  1.66222271e-28]
 [-2.08729643e-09 -2.08729643e-09 -1.65971563e-28]
 [-2.08729643e-09  2.08729643e-09  1.66034240e-28]
 [ 2.08729643e-09 -2.08729643e-09 -1.65971563e-28]
 [ 2.08729643e-09  2.08729643e-09  1.66096917e-28]
 [-2.08729643e-09 -2.08729643e-09 -1.66065578e-28]
 [-2.08729643e-09  2.08729643e-09  1.66159594e-28]
 [ 2.08729643e-09 -2.08729643e-09 -1.66002901e-28]]
stress =  [ 1.37628395e-10  1.37628395e-10 -2.15400459e-10  5.40834494e-26
  2.76161283e-33 -3.55239223e-49]
energy per atom =  -6.927214501155581
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0