element(s):
['N']
AFLOW prototype label:
A_oP2_51_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3041', '0.4598787', '0.18035076', '0.73032605']
model name:
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.25       0.         0.73032605]]
spacegroup =  51
cell =  [[7.3041, 0, 0], [0, 3.359, 0], [0, 0, 1.3173]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:03:17       -5.869657        3.3692
BFGS:    1 17:03:17       -6.078263        0.9574
BFGS:    2 17:03:17       -6.099228        1.8931
BFGS:    3 17:03:17       -6.124558        1.4426
BFGS:    4 17:03:17       -6.133032        0.5163
BFGS:    5 17:03:17       -6.134172        0.0715
BFGS:    6 17:03:17       -6.134261        0.0706
BFGS:    7 17:03:17       -6.136655        0.2936
BFGS:    8 17:03:17       -6.137850        0.2675
BFGS:    9 17:03:17       -6.138435        0.0872
BFGS:   10 17:03:17       -6.138470        0.0130
BFGS:   11 17:03:17       -6.138471        0.0031
BFGS:   12 17:03:17       -6.138471        0.0031
BFGS:   13 17:03:17       -6.138472        0.0051
BFGS:   14 17:03:17       -6.138473        0.0096
BFGS:   15 17:03:17       -6.138475        0.0144
BFGS:   16 17:03:17       -6.138479        0.0164
BFGS:   17 17:03:17       -6.138483        0.0111
BFGS:   18 17:03:17       -6.138484        0.0034
BFGS:   19 17:03:17       -6.138484        0.0003
BFGS:   20 17:03:17       -6.138484        0.0000
BFGS:   21 17:03:17       -6.138484        0.0000
BFGS:   22 17:03:17       -6.138484        0.0000
BFGS:   23 17:03:17       -6.138484        0.0000
BFGS:   24 17:03:17       -6.138484        0.0000
BFGS:   25 17:03:17       -6.138484        0.0000
BFGS:   26 17:03:17       -6.138484        0.0000
BFGS:   27 17:03:17       -6.138484        0.0001
BFGS:   28 17:03:17       -6.138484        0.0001
BFGS:   29 17:03:17       -6.138484        0.0002
BFGS:   30 17:03:17       -6.138484        0.0003
BFGS:   31 17:03:17       -6.138484        0.0005
BFGS:   32 17:03:17       -6.138484        0.0008
BFGS:   33 17:03:17       -6.138484        0.0012
BFGS:   34 17:03:17       -6.138484        0.0015
BFGS:   35 17:03:17       -6.138484        0.0013
BFGS:   36 17:03:17       -6.138484        0.0006
BFGS:   37 17:03:17       -6.138484        0.0001
BFGS:   38 17:03:17       -6.138484        0.0000
BFGS:   39 17:03:17       -6.138484        0.0000
BFGS:   40 17:03:17       -6.138484        0.0000
BFGS:   41 17:03:17       -6.138484        0.0000
Minimization converged after 41 steps.
Maximum force component: 5.47904248315441e-13 eV/Angstrom
Maximum stress component: 4.239653380932231e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[2.50000000e-01 0.00000000e+00 7.49999996e-01]
 [7.50000000e-01 1.04965461e-36 2.50000004e-01]]
cellpar =  Cell([[7.106455387167925, -5.445906764494991e-34, 0.0], [-5.138367908757989e-35, 3.553377229669521, 0.0], [0.0, 0.0, 1.3788870568613087]])
forces =  [[ 1.23701708e-69 -8.55444451e-35  5.47904248e-13]
 [-6.18508539e-70  4.27722226e-35 -5.47904248e-13]]
stress =  [-1.89804585e-12  5.28009297e-13 -4.23965338e-11  0.00000000e+00
  0.00000000e+00 -2.93557109e-47]
energy per atom =  -2.9646691405253933
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP2_51_e, while relaxed is A_oC2_65_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.