element(s):
['N']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0707', '1.631341']
model name:
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.0707, 0, 0], [-2.03535, 3.5253296111853, 0], [0, 0, 6.6407]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:22       -0.250746         0.018893
BFGS:    1 15:04:22       -0.250761         0.018870
BFGS:    2 15:04:22       -0.253190         0.013080
BFGS:    3 15:04:22       -0.254488         0.003590
BFGS:    4 15:04:22       -0.254557         0.001313
BFGS:    5 15:04:22       -0.254565         0.000115
BFGS:    6 15:04:22       -0.254565         0.000084
BFGS:    7 15:04:22       -0.254565         0.000086
BFGS:    8 15:04:22       -0.254565         0.000092
BFGS:    9 15:04:22       -0.254565         0.000097
BFGS:   10 15:04:22       -0.254565         0.000096
BFGS:   11 15:04:22       -0.254565         0.000078
BFGS:   12 15:04:22       -0.254565         0.000040
BFGS:   13 15:04:22       -0.254565         0.000013
BFGS:   14 15:04:22       -0.254565         0.000002
BFGS:   15 15:04:22       -0.254565         0.000000
BFGS:   16 15:04:22       -0.254565         0.000000
BFGS:   17 15:04:22       -0.254565         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.278625528139009e-33 eV/Angstrom
Maximum stress component: 1.0798156515940539e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.8371784340108452, -1.6941359558425758e-17, 1.845236211436874e-38], [-1.9185892170054226, 3.323094002707181, -7.080911372715474e-39], [1.4723791485130363e-38, 1.9362416424077772e-37, 6.2638319596585195]])
forces =  [[-2.27862553e-33  1.38667669e-33 -1.00623482e-71]
 [ 2.27862553e-33 -1.38667669e-33  1.00623482e-71]]
stress =  [ 1.07981565e-11  1.07981565e-11  9.22312329e-12 -4.81899562e-37
  5.00804716e-37  4.55014874e-28]
energy per atom =  -0.022709684721000753
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0