element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:12      -92.669449         6.742760
BFGS:    1 15:56:12      -96.133122         2.048446
BFGS:    2 15:56:12      -96.474676         0.934999
BFGS:    3 15:56:12      -96.516374         0.869695
BFGS:    4 15:56:12      -96.627127         0.692770
BFGS:    5 15:56:12      -96.716419         0.544689
BFGS:    6 15:56:12      -96.792868         0.512665
BFGS:    7 15:56:12      -96.855735         0.462198
BFGS:    8 15:56:12      -96.903149         0.363021
BFGS:    9 15:56:12      -96.933205         0.221684
BFGS:   10 15:56:12      -96.942771         0.035723
BFGS:   11 15:56:12      -96.942903         0.020753
BFGS:   12 15:56:12      -96.942949         0.000207
BFGS:   13 15:56:12      -96.942949         0.000006
BFGS:   14 15:56:12      -96.942949         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.0646344243675783e-09 eV/Angstrom
Maximum stress component: 7.067736250629961e-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 =  [[0.17152171 0.17152171 0.17152171]
 [0.82847829 0.82847829 0.17152171]
 [0.82847829 0.17152171 0.82847829]
 [0.17152171 0.82847829 0.82847829]
 [0.17152171 0.17152171 0.82847829]
 [0.82847829 0.82847829 0.82847829]
 [0.17152171 0.82847829 0.17152171]
 [0.82847829 0.17152171 0.17152171]
 [0.67152171 0.67152171 0.67152171]
 [0.32847829 0.32847829 0.67152171]
 [0.32847829 0.67152171 0.32847829]
 [0.67152171 0.32847829 0.32847829]
 [0.67152171 0.67152171 0.32847829]
 [0.32847829 0.32847829 0.32847829]
 [0.67152171 0.32847829 0.67152171]
 [0.32847829 0.67152171 0.67152171]]
cellpar =  Cell([[4.990602300601673, -3.512962118918042e-32, 5.2816561178641804e-33], [-1.4348245912410765e-32, 4.990602300601673, -5.175633096121423e-18], [-1.302845727153195e-32, -5.175633096121404e-18, 4.990602300601673]])
forces =  [[ 1.06463442e-09  1.06463442e-09  1.06463442e-09]
 [-1.06463442e-09 -1.06463442e-09  1.06463442e-09]
 [-1.06463442e-09  1.06463442e-09 -1.06463442e-09]
 [ 1.06463442e-09 -1.06463442e-09 -1.06463442e-09]
 [ 1.06463442e-09  1.06463442e-09 -1.06463442e-09]
 [-1.06463442e-09 -1.06463442e-09 -1.06463442e-09]
 [ 1.06463442e-09 -1.06463442e-09  1.06463442e-09]
 [-1.06463442e-09  1.06463442e-09  1.06463442e-09]
 [ 1.06463442e-09  1.06463442e-09  1.06463442e-09]
 [-1.06463442e-09 -1.06463442e-09  1.06463442e-09]
 [-1.06463442e-09  1.06463442e-09 -1.06463442e-09]
 [ 1.06463442e-09 -1.06463442e-09 -1.06463442e-09]
 [ 1.06463442e-09  1.06463442e-09 -1.06463442e-09]
 [-1.06463442e-09 -1.06463442e-09 -1.06463442e-09]
 [ 1.06463442e-09 -1.06463442e-09  1.06463442e-09]
 [-1.06463442e-09  1.06463442e-09  1.06463442e-09]]
stress =  [ 7.06773625e-11  7.06773625e-11  7.06773625e-11 -4.79224541e-27
 -9.08319791e-59  4.26285259e-59]
energy per atom =  -6.058934286627539
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0