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 15:49:20      -96.060637         1.856983
BFGS:    1 15:49:20      -96.150700         1.770346
BFGS:    2 15:49:21      -96.392115         1.298510
BFGS:    3 15:49:21      -96.508423         1.185918
BFGS:    4 15:49:21      -96.658596         1.009022
BFGS:    5 15:49:21      -96.789706         0.835567
BFGS:    6 15:49:21      -96.902083         0.665997
BFGS:    7 15:49:21      -96.993081         0.501012
BFGS:    8 15:49:21      -97.060832         0.355169
BFGS:    9 15:49:21      -97.104426         0.217386
BFGS:   10 15:49:21      -97.123522         0.065176
BFGS:   11 15:49:21      -97.124463         0.014718
BFGS:   12 15:49:21      -97.124475         0.006974
BFGS:   13 15:49:21      -97.124479         0.000266
BFGS:   14 15:49:21      -97.124479         0.000032
BFGS:   15 15:49:21      -97.124479         0.000002
BFGS:   16 15:49:21      -97.124479         0.000000
BFGS:   17 15:49:21      -97.124479         0.000000
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