element(s):
['N']
AFLOW prototype label:
A_cP8_205_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:
['5.8863', '0.054565089']
model name:
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.05456509 0.05456509 0.05456509]]
spacegroup =  205
cell =  [[5.8863, 0, 0], [0, 5.8863, 0], [0, 0, 5.8863]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:24:21      -44.273653        1.9500
BFGS:    1 14:24:21      -42.314545       20.2418
BFGS:    2 14:24:21      -44.296849        0.3729
BFGS:    3 14:24:21      -44.297666        0.0650
BFGS:    4 14:24:21      -44.297692        0.0058
BFGS:    5 14:24:21      -44.297694        0.0060
BFGS:    6 14:24:21      -44.297827        0.0787
BFGS:    7 14:24:21      -44.297976        0.1161
BFGS:    8 14:24:21      -44.298157        0.0984
BFGS:    9 14:24:21      -44.298212        0.0417
BFGS:   10 14:24:21      -44.298223        0.0063
BFGS:   11 14:24:21      -44.298223        0.0001
BFGS:   12 14:24:21      -44.298223        0.0000
BFGS:   13 14:24:21      -44.298223        0.0000
BFGS:   14 14:24:21      -44.298223        0.0000
Minimization converged after 14 steps.
Maximum force component: 9.8053859034665e-10 eV/Angstrom
Maximum stress component: 1.1221263471719197e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.05528664 0.05528664 0.05528664]
 [0.44471336 0.94471336 0.55528664]
 [0.94471336 0.55528664 0.44471336]
 [0.55528664 0.44471336 0.94471336]
 [0.94471336 0.94471336 0.94471336]
 [0.55528664 0.05528664 0.44471336]
 [0.05528664 0.44471336 0.55528664]
 [0.44471336 0.55528664 0.05528664]]
cellpar =  Cell([[5.841177090866903, -2.1867993120255873e-35, 0.0], [1.7328485289076617e-34, 5.841177090866903, 0.0], [0.0, 0.0, 5.841177090866903]])
forces =  [[ 9.8053859e-10  9.8053859e-10  9.8053859e-10]
 [-9.8053859e-10 -9.8053859e-10  9.8053859e-10]
 [-9.8053859e-10  9.8053859e-10 -9.8053859e-10]
 [ 9.8053859e-10 -9.8053859e-10 -9.8053859e-10]
 [-9.8053859e-10 -9.8053859e-10 -9.8053859e-10]
 [ 9.8053859e-10  9.8053859e-10 -9.8053859e-10]
 [ 9.8053859e-10 -9.8053859e-10  9.8053859e-10]
 [-9.8053859e-10  9.8053859e-10  9.8053859e-10]]
stress =  [-1.12212635e-11 -1.12212635e-11 -1.12212635e-11  0.00000000e+00
  0.00000000e+00  1.54137542e-32]
energy per atom =  -5.432705053607321
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0