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_LCBOP_LosFasolino_2003_C__SM_469631949122_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 16:36:05     -101.708405         2.572590
BFGS:    1 16:36:05     -102.906979         0.192442
BFGS:    2 16:36:05     -102.906595         0.227587
BFGS:    3 16:36:05     -102.909785         0.098991
BFGS:    4 16:36:05     -102.910286         0.095464
BFGS:    5 16:36:05     -102.913722         0.098163
BFGS:    6 16:36:05     -102.915143         0.076994
BFGS:    7 16:36:06     -102.915581         0.020314
BFGS:    8 16:36:06     -102.915605         0.002217
BFGS:    9 16:36:06     -102.915605         0.000071
BFGS:   10 16:36:06     -102.915605         0.000007
BFGS:   11 16:36:06     -102.915605         0.000000
BFGS:   12 16:36:06     -102.915605         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.847766660984924e-10 eV/Angstrom
Maximum stress component: 6.91491111933005e-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 =  [[0.15120088 0.15120088 0.15120088]
 [0.34879912 0.84879912 0.65120088]
 [0.84879912 0.65120088 0.34879912]
 [0.65120088 0.34879912 0.84879912]
 [0.65120088 0.65120088 0.65120088]
 [0.84879912 0.34879912 0.15120088]
 [0.34879912 0.15120088 0.84879912]
 [0.15120088 0.84879912 0.34879912]
 [0.84879912 0.84879912 0.84879912]
 [0.65120088 0.15120088 0.34879912]
 [0.15120088 0.34879912 0.65120088]
 [0.34879912 0.65120088 0.15120088]
 [0.34879912 0.34879912 0.34879912]
 [0.15120088 0.65120088 0.84879912]
 [0.65120088 0.84879912 0.15120088]
 [0.84879912 0.15120088 0.65120088]]
cellpar =  Cell([[4.491004633905868, -6.7407626089410716e-37, 0.0], [-1.9797808476611056e-38, 4.491004633905868, 0.0], [0.0, 0.0, 4.491004633905868]])
forces =  [[ 8.84776666e-10  8.84776666e-10  8.84776666e-10]
 [-8.84776666e-10 -8.84776666e-10  8.84776666e-10]
 [-8.84776666e-10  8.84776666e-10 -8.84776666e-10]
 [ 8.84776666e-10 -8.84776666e-10 -8.84776666e-10]
 [ 8.84776666e-10  8.84776666e-10  8.84776666e-10]
 [-8.84776666e-10 -8.84776666e-10  8.84776666e-10]
 [-8.84776666e-10  8.84776666e-10 -8.84776666e-10]
 [ 8.84776666e-10 -8.84776666e-10 -8.84776666e-10]
 [-8.84776666e-10 -8.84776666e-10 -8.84776666e-10]
 [ 8.84776666e-10  8.84776666e-10 -8.84776666e-10]
 [ 8.84776666e-10 -8.84776666e-10  8.84776666e-10]
 [-8.84776666e-10  8.84776666e-10  8.84776666e-10]
 [-8.84776666e-10 -8.84776666e-10 -8.84776666e-10]
 [ 8.84776666e-10  8.84776666e-10 -8.84776666e-10]
 [ 8.84776666e-10 -8.84776666e-10  8.84776666e-10]
 [-8.84776666e-10  8.84776666e-10  8.84776666e-10]]
stress =  [-6.91491112e-11 -6.91491112e-11 -6.91491112e-11  0.00000000e+00
  0.00000000e+00 -3.05564894e-33]
energy per atom =  -6.43222532680489
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0