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_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== 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 16:21:50      -22.119433         1.716362
BFGS:    1 16:21:50      -21.240322        19.285771
BFGS:    2 16:21:50      -22.128395         0.332724
BFGS:    3 16:21:50      -22.128747         0.058393
BFGS:    4 16:21:50      -22.128790         0.024574
BFGS:    5 16:21:50      -22.128846         0.074606
BFGS:    6 16:21:50      -22.129057         0.210269
BFGS:    7 16:21:50      -22.129557         0.405863
BFGS:    8 16:21:50      -22.131120         0.753891
BFGS:    9 16:21:50      -22.133496         1.000581
BFGS:   10 16:21:50      -22.096074         3.741333
BFGS:   11 16:21:50      -22.137113         0.129923
BFGS:   12 16:21:50      -22.137327         0.095276
BFGS:   13 16:21:50      -22.140630         0.138187
BFGS:   14 16:21:50      -22.143714         0.184352
BFGS:   15 16:21:50      -22.146580         0.118210
BFGS:   16 16:21:50      -22.148993         0.020990
BFGS:   17 16:21:50      -22.150710         0.179056
BFGS:   18 16:21:50      -22.151585         0.322130
BFGS:   19 16:21:50      -22.151861         0.251840
BFGS:   20 16:21:50      -22.152029         0.046150
BFGS:   21 16:21:50      -22.152035         0.010751
BFGS:   22 16:21:50      -22.152036         0.007897
BFGS:   23 16:21:50      -22.152051         0.042346
BFGS:   24 16:21:50      -22.152078         0.083192
BFGS:   25 16:21:51      -22.152143         0.134118
BFGS:   26 16:21:51      -22.152249         0.138667
BFGS:   27 16:21:51      -22.152312         0.049835
BFGS:   28 16:21:51      -22.152317         0.030480
BFGS:   29 16:21:51      -22.152321         0.000663
BFGS:   30 16:21:51      -22.152321         0.000156
BFGS:   31 16:21:51      -22.152321         0.000022
BFGS:   32 16:21:51      -22.152321         0.000001
BFGS:   33 16:21:51      -22.152321         0.000000
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