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 16:36:06      -96.060637         1.856983
BFGS:    1 16:36:06      -96.150700         1.770346
BFGS:    2 16:36:07      -96.392115         1.298510
BFGS:    3 16:36:07      -96.508423         1.185918
BFGS:    4 16:36:07      -96.658596         1.009022
BFGS:    5 16:36:08      -96.789706         0.835567
BFGS:    6 16:36:08      -96.902083         0.665997
BFGS:    7 16:36:08      -96.993081         0.501012
BFGS:    8 16:36:08      -97.060832         0.355169
BFGS:    9 16:36:08      -97.104426         0.217386
BFGS:   10 16:36:08      -97.123522         0.065176
BFGS:   11 16:36:08      -97.124463         0.014718
BFGS:   12 16:36:08      -97.124475         0.006974
BFGS:   13 16:36:09      -97.124479         0.000266
BFGS:   14 16:36:09      -97.124479         0.000032
BFGS:   15 16:36:09      -97.124479         0.000002
BFGS:   16 16:36:10      -97.124479         0.000000
BFGS:   17 16:36:10      -97.124479         0.000000
Minimization converged after 17 steps.
Maximum force component: 5.582671879099844e-10 eV/Angstrom
Maximum stress component: 1.9921296362949665e-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([[4.597137591360275, 1.4927018715130523e-37, 0.0], [2.7312488209515825e-36, 4.597137591360275, 0.0], [0.0, 0.0, 4.597137591360275]])
forces =  [[ 5.58267188e-10  5.58267188e-10  5.58267188e-10]
 [-5.58267188e-10 -5.58267188e-10  5.58267188e-10]
 [-5.58267188e-10  5.58267188e-10 -5.58267188e-10]
 [ 5.58267188e-10 -5.58267188e-10 -5.58267188e-10]
 [ 5.58267188e-10  5.58267188e-10  5.58267188e-10]
 [-5.58267188e-10 -5.58267188e-10  5.58267188e-10]
 [-5.58267188e-10  5.58267188e-10 -5.58267188e-10]
 [ 5.58267188e-10 -5.58267188e-10 -5.58267188e-10]
 [-5.58267188e-10 -5.58267188e-10 -5.58267188e-10]
 [ 5.58267188e-10  5.58267188e-10 -5.58267188e-10]
 [ 5.58267188e-10 -5.58267188e-10  5.58267188e-10]
 [-5.58267188e-10  5.58267188e-10  5.58267188e-10]
 [-5.58267188e-10 -5.58267188e-10 -5.58267188e-10]
 [ 5.58267188e-10  5.58267188e-10 -5.58267188e-10]
 [ 5.58267188e-10 -5.58267188e-10  5.58267188e-10]
 [-5.58267188e-10  5.58267188e-10  5.58267188e-10]]
stress =  [-1.99212964e-11 -1.99212964e-11 -1.99212964e-11  0.00000000e+00
  0.00000000e+00  3.11060011e-33]
energy per atom =  -6.070279948617081
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0