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_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_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 17:03:16       -3.228865        7.1955
BFGS:    1 17:03:16       -3.289558        5.7359
BFGS:    2 17:03:17       -3.411462        1.4494
BFGS:    3 17:03:17       -3.386436        7.1691
BFGS:    4 17:03:17       -3.412386        0.2450
BFGS:    5 17:03:17       -3.412519        0.0772
BFGS:    6 17:03:17       -3.412938        0.5002
BFGS:    7 17:03:17       -3.414479        1.4923
BFGS:    8 17:03:17       -3.417416        2.5485
BFGS:    9 17:03:17       -3.420335        3.0646
BFGS:   10 17:03:17       -3.423271        3.2413
BFGS:   11 17:03:17       -3.426210        3.0240
BFGS:   12 17:03:17       -3.429289        1.8057
BFGS:   13 17:03:17       -3.430628        0.2260
BFGS:   14 17:03:17       -3.430692        0.0156
BFGS:   15 17:03:17       -3.430696        0.0146
BFGS:   16 17:03:17       -3.430838        0.0337
BFGS:   17 17:03:17       -3.430858        0.0173
BFGS:   18 17:03:17       -3.430861        0.0024
BFGS:   19 17:03:17       -3.430861        0.0002
BFGS:   20 17:03:17       -3.430861        0.0000
BFGS:   21 17:03:17       -3.430861        0.0000
BFGS:   22 17:03:17       -3.430861        0.0000
BFGS:   23 17:03:17       -3.430861        0.0001
BFGS:   24 17:03:17       -3.430861        0.0001
BFGS:   25 17:03:17       -3.430861        0.0002
BFGS:   26 17:03:17       -3.430861        0.0004
BFGS:   27 17:03:17       -3.430861        0.0006
BFGS:   28 17:03:17       -3.430861        0.0010
BFGS:   29 17:03:17       -3.430861        0.0016
BFGS:   30 17:03:17       -3.430861        0.0023
BFGS:   31 17:03:17       -3.430861        0.0029
BFGS:   32 17:03:17       -3.430861        0.0026
BFGS:   33 17:03:17       -3.430861        0.0013
BFGS:   34 17:03:17       -3.430861        0.0002
BFGS:   35 17:03:17       -3.430861        0.0000
BFGS:   36 17:03:17       -3.430861        0.0000
BFGS:   37 17:03:17       -3.430861        0.0000
BFGS:   38 17:03:17       -3.430861        0.0000
Minimization converged after 38 steps.
Maximum force component: 3.950086108469362e-12 eV/Angstrom
Maximum stress component: 1.565510624825685e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[2.50000000e-01 2.34814180e-36 7.49999994e-01]
 [7.50000000e-01 5.49938502e-35 2.50000006e-01]]
cellpar =  Cell([[6.297857072239017, -2.503021408791733e-37, 0.0], [-4.1814792696619494e-35, 3.149367414333457, 0.0], [0.0, 0.0, 1.3348971746888842]])
forces =  [[-1.00665452e-69  7.58182626e-35  3.95008611e-12]
 [ 1.00665452e-69 -7.58182626e-35 -3.95008611e-12]]
stress =  [-1.45157424e-11  1.27232605e-11 -1.56551062e-10  0.00000000e+00
  0.00000000e+00 -2.34972572e-46]
energy per atom =  -1.6273321954953786
===============================================
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.