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_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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 17:35:42      -96.060637        1.8570
BFGS:    1 17:35:42      -96.150700        1.7703
BFGS:    2 17:35:42      -96.392115        1.2985
BFGS:    3 17:35:42      -96.508423        1.1859
BFGS:    4 17:35:42      -96.658596        1.0090
BFGS:    5 17:35:43      -96.789706        0.8356
BFGS:    6 17:35:43      -96.902083        0.6660
BFGS:    7 17:35:43      -96.993081        0.5010
BFGS:    8 17:35:43      -97.060832        0.3552
BFGS:    9 17:35:43      -97.104426        0.2174
BFGS:   10 17:35:43      -97.123522        0.0652
BFGS:   11 17:35:43      -97.124463        0.0147
BFGS:   12 17:35:43      -97.124475        0.0070
BFGS:   13 17:35:43      -97.124479        0.0003
BFGS:   14 17:35:43      -97.124479        0.0000
BFGS:   15 17:35:43      -97.124479        0.0000
BFGS:   16 17:35:43      -97.124479        0.0000
BFGS:   17 17:35:43      -97.124479        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.582833500524422e-10 eV/Angstrom
Maximum stress component: 1.9919045540003966e-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 =  [[0.15457252 0.15457252 0.15457252]
 [0.34542748 0.84542748 0.65457252]
 [0.84542748 0.65457252 0.34542748]
 [0.65457252 0.34542748 0.84542748]
 [0.65457252 0.65457252 0.65457252]
 [0.84542748 0.34542748 0.15457252]
 [0.34542748 0.15457252 0.84542748]
 [0.15457252 0.84542748 0.34542748]
 [0.84542748 0.84542748 0.84542748]
 [0.65457252 0.15457252 0.34542748]
 [0.15457252 0.34542748 0.65457252]
 [0.34542748 0.65457252 0.15457252]
 [0.34542748 0.34542748 0.34542748]
 [0.15457252 0.65457252 0.84542748]
 [0.65457252 0.84542748 0.15457252]
 [0.84542748 0.15457252 0.65457252]]
cellpar =  Cell([[4.597137591360276, 6.085939786082774e-37, 0.0], [1.8891613921124883e-36, 4.597137591360276, 0.0], [0.0, 0.0, 4.597137591360276]])
forces =  [[ 5.5828335e-10  5.5828335e-10  5.5828335e-10]
 [-5.5828335e-10 -5.5828335e-10  5.5828335e-10]
 [-5.5828335e-10  5.5828335e-10 -5.5828335e-10]
 [ 5.5828335e-10 -5.5828335e-10 -5.5828335e-10]
 [ 5.5828335e-10  5.5828335e-10  5.5828335e-10]
 [-5.5828335e-10 -5.5828335e-10  5.5828335e-10]
 [-5.5828335e-10  5.5828335e-10 -5.5828335e-10]
 [ 5.5828335e-10 -5.5828335e-10 -5.5828335e-10]
 [-5.5828335e-10 -5.5828335e-10 -5.5828335e-10]
 [ 5.5828335e-10  5.5828335e-10 -5.5828335e-10]
 [ 5.5828335e-10 -5.5828335e-10  5.5828335e-10]
 [-5.5828335e-10  5.5828335e-10  5.5828335e-10]
 [-5.5828335e-10 -5.5828335e-10 -5.5828335e-10]
 [ 5.5828335e-10  5.5828335e-10 -5.5828335e-10]
 [ 5.5828335e-10 -5.5828335e-10  5.5828335e-10]
 [-5.5828335e-10  5.5828335e-10  5.5828335e-10]]
stress =  [-1.99190455e-11 -1.99190455e-11 -1.99190455e-11  0.00000000e+00
  0.00000000e+00  6.22120022e-33]
energy per atom =  -6.070279948617083
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0