element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:51      -58.868940         1.108772
BFGS:    1 16:33:51      -58.920027         1.041114
BFGS:    2 16:33:52      -59.059536         0.815889
BFGS:    3 16:33:52      -59.163828         0.571337
BFGS:    4 16:33:52      -59.229899         0.306029
BFGS:    5 16:33:52      -59.254525         0.018596
BFGS:    6 16:33:52      -59.254612         0.000746
BFGS:    7 16:33:52      -59.254612         0.000002
BFGS:    8 16:33:52      -59.254612         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.0548182845517638e-30 eV/Angstrom
Maximum stress component: 2.1897819784668732e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.011423094631264, 9.730564597892675e-33, 1.2715692638267705e-32], [-2.400902145925783e-37, 4.011423094631264, -3.2556720031794045e-17], [6.721072601180547e-33, -3.255672003179403e-17, 4.011423094631264]])
forces =  [[ 1.31852286e-31  5.27409142e-31  6.59261428e-31]
 [-6.59261428e-32  4.11523344e-31  9.39447535e-31]
 [ 1.64815357e-31  7.91113713e-31 -1.31852286e-31]
 [-4.28519928e-31 -1.48333821e-31  3.95556857e-31]
 [ 7.25187571e-31 -2.63704571e-31 -2.30741500e-31]
 [ 1.76726734e-63  1.05481828e-30  1.05481828e-30]
 [ 3.95556857e-31 -1.97778428e-31 -2.63704571e-31]
 [ 2.63704571e-31 -2.63704571e-31  8.57039856e-31]]
stress =  [ 2.18978198e-11  2.18978198e-11  2.18978198e-11 -1.02184153e-26
  3.04921138e-59  1.68062163e-60]
energy per atom =  -7.406826462642128
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0