element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:50:12     -110.681881         1.643459
BFGS:    1 15:50:12     -110.859955         0.750559
BFGS:    2 15:50:12     -110.915875         0.671761
BFGS:    3 15:50:12     -110.945423         0.606971
BFGS:    4 15:50:12     -111.013098         0.487402
BFGS:    5 15:50:12     -111.071971         0.580226
BFGS:    6 15:50:12     -111.124605         0.526132
BFGS:    7 15:50:12     -111.164722         0.361176
BFGS:    8 15:50:12     -111.183233         0.084533
BFGS:    9 15:50:12     -111.183783         0.026068
BFGS:   10 15:50:12     -111.183869         0.000588
BFGS:   11 15:50:12     -111.183869         0.000053
BFGS:   12 15:50:12     -111.183869         0.000001
BFGS:   13 15:50:12     -111.183869         0.000000
BFGS:   14 15:50:12     -111.183869         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.8438606298627302e-10 eV/Angstrom
Maximum stress component: 2.0733993575925633e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.15331061 0.15331061 0.15331061]
 [0.34668939 0.84668939 0.65331061]
 [0.84668939 0.65331061 0.34668939]
 [0.65331061 0.34668939 0.84668939]
 [0.65331061 0.65331061 0.65331061]
 [0.84668939 0.34668939 0.15331061]
 [0.34668939 0.15331061 0.84668939]
 [0.15331061 0.84668939 0.34668939]
 [0.84668939 0.84668939 0.84668939]
 [0.65331061 0.15331061 0.34668939]
 [0.15331061 0.34668939 0.65331061]
 [0.34668939 0.65331061 0.15331061]
 [0.34668939 0.34668939 0.34668939]
 [0.15331061 0.65331061 0.84668939]
 [0.65331061 0.84668939 0.15331061]
 [0.84668939 0.15331061 0.65331061]]
cellpar =  Cell([[4.399583571289943, -4.761737314891654e-37, 0.0], [-4.4010356251427605e-37, 4.399583571289943, 0.0], [0.0, 0.0, 4.399583571289943]])
forces =  [[ 1.84386063e-10  1.84386063e-10  1.84386063e-10]
 [-1.84386063e-10 -1.84386063e-10  1.84386063e-10]
 [-1.84386063e-10  1.84386063e-10 -1.84386063e-10]
 [ 1.84386063e-10 -1.84386063e-10 -1.84386063e-10]
 [ 1.84386063e-10  1.84386063e-10  1.84386063e-10]
 [-1.84386063e-10 -1.84386063e-10  1.84386063e-10]
 [-1.84386063e-10  1.84386063e-10 -1.84386063e-10]
 [ 1.84386063e-10 -1.84386063e-10 -1.84386063e-10]
 [-1.84386063e-10 -1.84386063e-10 -1.84386063e-10]
 [ 1.84386063e-10  1.84386063e-10 -1.84386063e-10]
 [ 1.84386063e-10 -1.84386063e-10  1.84386063e-10]
 [-1.84386063e-10  1.84386063e-10  1.84386063e-10]
 [-1.84386063e-10 -1.84386063e-10 -1.84386063e-10]
 [ 1.84386063e-10  1.84386063e-10 -1.84386063e-10]
 [ 1.84386063e-10 -1.84386063e-10  1.84386063e-10]
 [-1.84386063e-10  1.84386063e-10  1.84386063e-10]]
stress =  [2.07339936e-11 2.07339936e-11 2.07339936e-11 0.00000000e+00
 0.00000000e+00 1.22866261e-63]
energy per atom =  -6.948991838338361
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0