element(s):
['N']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2753', '1.6578954', '0.32853587']
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 0.32853587]]
spacegroup =  194
cell =  [[4.2753, 0, 0], [-2.13765, 3.7025184087996, 0], [0, 0, 7.088]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:29:04      -22.119433        1.7164
BFGS:    1 15:29:04      -21.240322       19.2858
BFGS:    2 15:29:04      -22.128395        0.3327
BFGS:    3 15:29:04      -22.128747        0.0584
BFGS:    4 15:29:04      -22.128790        0.0246
BFGS:    5 15:29:04      -22.128846        0.0746
BFGS:    6 15:29:04      -22.129057        0.2103
BFGS:    7 15:29:04      -22.129557        0.4059
BFGS:    8 15:29:04      -22.131120        0.7539
BFGS:    9 15:29:04      -22.133496        1.0006
BFGS:   10 15:29:04      -22.096074        3.7413
BFGS:   11 15:29:04      -22.137113        0.1299
BFGS:   12 15:29:04      -22.137327        0.0953
BFGS:   13 15:29:04      -22.140630        0.1382
BFGS:   14 15:29:04      -22.143714        0.1844
BFGS:   15 15:29:04      -22.146580        0.1182
BFGS:   16 15:29:04      -22.148993        0.0210
BFGS:   17 15:29:04      -22.150710        0.1791
BFGS:   18 15:29:04      -22.151585        0.3221
BFGS:   19 15:29:04      -22.151861        0.2518
BFGS:   20 15:29:04      -22.152029        0.0461
BFGS:   21 15:29:04      -22.152035        0.0108
BFGS:   22 15:29:04      -22.152036        0.0079
BFGS:   23 15:29:04      -22.152051        0.0423
BFGS:   24 15:29:04      -22.152078        0.0832
BFGS:   25 15:29:04      -22.152143        0.1341
BFGS:   26 15:29:04      -22.152249        0.1387
BFGS:   27 15:29:04      -22.152312        0.0498
BFGS:   28 15:29:04      -22.152317        0.0305
BFGS:   29 15:29:04      -22.152321        0.0007
BFGS:   30 15:29:04      -22.152321        0.0002
BFGS:   31 15:29:04      -22.152321        0.0000
BFGS:   32 15:29:04      -22.152321        0.0000
BFGS:   33 15:29:04      -22.152321        0.0000
Minimization converged after 33 steps.
Maximum force component: 4.4122083351919735e-10 eV/Angstrom
Maximum stress component: 3.104507412803951e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.32066764]
 [0.66666666 0.33333334 0.82066764]
 [0.66666666 0.33333334 0.67933236]
 [0.33333333 0.66666667 0.17933236]]
cellpar =  Cell([[3.799768930136849, 8.560173765119963e-17, 2.451419194109942e-35], [-1.8998844650684246, 3.2906964220093293, 6.581104862184897e-35], [-1.6351473401229622e-35, 2.664175573664469e-34, 7.915246470001389]])
forces =  [[-6.70824803e-34  1.05627513e-34  4.41220834e-10]
 [ 1.28066553e-33 -5.28137565e-34  4.41220834e-10]
 [ 6.70824803e-34 -1.05627513e-34 -4.41220834e-10]
 [-1.28066553e-33  5.28137565e-34 -4.41220834e-10]]
stress =  [ 3.10450741e-11  3.10450741e-11  7.99138063e-12 -2.52386968e-33
 -4.37147051e-33  4.13125608e-29]
energy per atom =  -5.433507407773534
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0