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 17:36:20     -101.708405        2.5726
BFGS:    1 17:36:20     -102.906979        0.1924
BFGS:    2 17:36:20     -102.906595        0.2276
BFGS:    3 17:36:20     -102.909785        0.0990
BFGS:    4 17:36:20     -102.910286        0.0955
BFGS:    5 17:36:20     -102.913722        0.0982
BFGS:    6 17:36:20     -102.915143        0.0770
BFGS:    7 17:36:20     -102.915581        0.0203
BFGS:    8 17:36:20     -102.915605        0.0022
BFGS:    9 17:36:20     -102.915605        0.0001
BFGS:   10 17:36:20     -102.915605        0.0000
BFGS:   11 17:36:20     -102.915605        0.0000
BFGS:   12 17:36:20     -102.915605        0.0000
Minimization converged after 12 steps.
Maximum force component: 8.84831051910408e-10 eV/Angstrom
Maximum stress component: 6.91486949693228e-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, -1.591759008070387e-36, 0.0], [5.763420176926416e-37, 4.491004633905868, 0.0], [0.0, 0.0, 4.491004633905868]])
forces =  [[ 8.84831052e-10  8.84831052e-10  8.84831052e-10]
 [-8.84831052e-10 -8.84831052e-10  8.84831052e-10]
 [-8.84831052e-10  8.84831052e-10 -8.84831052e-10]
 [ 8.84831052e-10 -8.84831052e-10 -8.84831052e-10]
 [ 8.84831052e-10  8.84831052e-10  8.84831052e-10]
 [-8.84831052e-10 -8.84831052e-10  8.84831052e-10]
 [-8.84831052e-10  8.84831052e-10 -8.84831052e-10]
 [ 8.84831052e-10 -8.84831052e-10 -8.84831052e-10]
 [-8.84831052e-10 -8.84831052e-10 -8.84831052e-10]
 [ 8.84831052e-10  8.84831052e-10 -8.84831052e-10]
 [ 8.84831052e-10 -8.84831052e-10  8.84831052e-10]
 [-8.84831052e-10  8.84831052e-10  8.84831052e-10]
 [-8.84831052e-10 -8.84831052e-10 -8.84831052e-10]
 [ 8.84831052e-10  8.84831052e-10 -8.84831052e-10]
 [ 8.84831052e-10 -8.84831052e-10  8.84831052e-10]
 [-8.84831052e-10  8.84831052e-10  8.84831052e-10]]
stress =  [-6.91486950e-11 -6.91486950e-11 -6.91486950e-11  0.00000000e+00
  0.00000000e+00  1.62967944e-33]
energy per atom =  -6.432225326804884
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0