element(s):
['N']
AFLOW prototype label:
A_cI8_199_a
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8018', '0.66473467']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.16473467 0.16473467 0.16473467]]
spacegroup =  199
cell =  [[3.8018, 0, 0], [0, 3.8018, 0], [0, 0, 3.8018]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:18:59      -12.183446        7.6112
BFGS:    1 18:18:59      -16.149422        7.4615
BFGS:    2 18:18:59      -19.249251        7.7315
BFGS:    3 18:18:59      -21.330750        6.2412
BFGS:    4 18:18:59      -22.438000        5.3992
BFGS:    5 18:19:00      -23.203940        4.6081
BFGS:    6 18:19:00      -23.864150        4.2736
BFGS:    7 18:19:00      -24.516113        4.3022
BFGS:    8 18:19:00      -25.208840        4.6936
BFGS:    9 18:19:00      -26.006275        5.6442
BFGS:   10 18:19:00      -26.042275        8.7799
BFGS:   11 18:19:00      -26.981640        3.0722
BFGS:   12 18:19:00      -27.433830        3.4687
BFGS:   13 18:19:00      -27.641035        1.7885
BFGS:   14 18:19:00      -27.683435        0.1702
BFGS:   15 18:19:00      -27.684714        0.0245
BFGS:   16 18:19:00      -27.684724        0.0010
BFGS:   17 18:19:00      -27.684724        0.0000
BFGS:   18 18:19:00      -27.684724        0.0000
BFGS:   19 18:19:00      -27.684724        0.0000
Minimization converged after 19 steps.
Maximum force component: 8.934022578178326e-10 eV/Angstrom
Maximum stress component: 4.2970481265821304e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.17220516 0.17220516 0.17220516]
 [0.32779484 0.82779484 0.67220516]
 [0.82779484 0.67220516 0.32779484]
 [0.67220516 0.32779484 0.82779484]
 [0.67220516 0.67220516 0.67220516]
 [0.82779484 0.32779484 0.17220516]
 [0.32779484 0.17220516 0.82779484]
 [0.17220516 0.82779484 0.32779484]]
cellpar =  Cell([4.112808145033499, 4.112808145033499, 4.112808145033499])
forces =  [[-8.93402258e-10 -8.93402258e-10 -8.93402258e-10]
 [ 8.93402258e-10  8.93402258e-10 -8.93402258e-10]
 [ 8.93402258e-10 -8.93402258e-10  8.93402258e-10]
 [-8.93402258e-10  8.93402258e-10  8.93402258e-10]
 [-8.93402258e-10 -8.93402258e-10 -8.93402258e-10]
 [ 8.93402258e-10  8.93402258e-10 -8.93402258e-10]
 [ 8.93402258e-10 -8.93402258e-10  8.93402258e-10]
 [-8.93402258e-10  8.93402258e-10  8.93402258e-10]]
stress =  [4.29704813e-10 4.29704813e-10 4.29704813e-10 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -3.372492222168345
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0