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_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_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 17:36:20     -126.616481       13.7551
BFGS:    1 17:36:20     -128.543134        3.2680
BFGS:    2 17:36:20     -129.083621        2.7793
BFGS:    3 17:36:20     -129.696234        2.1302
BFGS:    4 17:36:20     -129.633263        3.3601
BFGS:    5 17:36:20     -129.791373        1.1468
BFGS:    6 17:36:20     -129.785548        2.0700
BFGS:    7 17:36:20     -129.805919        0.1013
BFGS:    8 17:36:21     -129.806334        0.0231
BFGS:    9 17:36:21     -129.806374        0.0036
BFGS:   10 17:36:21     -129.806374        0.0004
BFGS:   11 17:36:21     -129.806374        0.0000
BFGS:   12 17:36:21     -129.806374        0.0000
Minimization converged after 12 steps.
Maximum force component: 1.7582354661801062e-09 eV/Angstrom
Maximum stress component: 4.777775482312923e-10 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 =  [[0.15120396 0.15120396 0.15120396]
 [0.34879604 0.84879604 0.65120396]
 [0.84879604 0.65120396 0.34879604]
 [0.65120396 0.34879604 0.84879604]
 [0.65120396 0.65120396 0.65120396]
 [0.84879604 0.34879604 0.15120396]
 [0.34879604 0.15120396 0.84879604]
 [0.15120396 0.84879604 0.34879604]
 [0.84879604 0.84879604 0.84879604]
 [0.65120396 0.15120396 0.34879604]
 [0.15120396 0.34879604 0.65120396]
 [0.34879604 0.65120396 0.15120396]
 [0.34879604 0.34879604 0.34879604]
 [0.15120396 0.65120396 0.84879604]
 [0.65120396 0.84879604 0.15120396]
 [0.84879604 0.15120396 0.65120396]]
cellpar =  Cell([[4.459511327876734, -3.5567319734583324e-36, 0.0], [-2.064600535987734e-36, 4.459511327876734, 0.0], [0.0, 0.0, 4.459511327876734]])
forces =  [[ 1.75823547e-09  1.75823547e-09  1.75823547e-09]
 [-1.75823547e-09 -1.75823547e-09  1.75823547e-09]
 [-1.75823547e-09  1.75823547e-09 -1.75823547e-09]
 [ 1.75823547e-09 -1.75823547e-09 -1.75823547e-09]
 [ 1.75823547e-09  1.75823547e-09  1.75823547e-09]
 [-1.75823547e-09 -1.75823547e-09  1.75823547e-09]
 [-1.75823547e-09  1.75823547e-09 -1.75823547e-09]
 [ 1.75823547e-09 -1.75823547e-09 -1.75823547e-09]
 [-1.75823547e-09 -1.75823547e-09 -1.75823547e-09]
 [ 1.75823547e-09  1.75823547e-09 -1.75823547e-09]
 [ 1.75823547e-09 -1.75823547e-09  1.75823547e-09]
 [-1.75823547e-09  1.75823547e-09  1.75823547e-09]
 [-1.75823547e-09 -1.75823547e-09 -1.75823547e-09]
 [ 1.75823547e-09  1.75823547e-09 -1.75823547e-09]
 [ 1.75823547e-09 -1.75823547e-09  1.75823547e-09]
 [-1.75823547e-09  1.75823547e-09  1.75823547e-09]]
stress =  [-4.77777548e-10 -4.77777548e-10 -4.77777548e-10  0.00000000e+00
  0.00000000e+00  9.91667087e-33]
energy per atom =  -8.010006954804467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0