element(s):
['N']
AFLOW prototype label:
A_tP4_136_f
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2482', '1.3389436', '0.092623864']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.09262386 0.09262386 0.        ]]
spacegroup =  136
cell =  [[4.2482, 0, 0], [0, 4.2482, 0], [0, 0, 5.6881]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:52:16      -16.483424        2.7364
BFGS:    1 17:52:16      -15.765005       11.8708
BFGS:    2 17:52:16      -16.528877        0.1771
BFGS:    3 17:52:16      -16.529184        0.0529
BFGS:    4 17:52:16      -16.529346        0.0611
BFGS:    5 17:52:16      -16.530104        0.2501
BFGS:    6 17:52:16      -16.531731        0.5011
BFGS:    7 17:52:17      -16.535601        0.8900
BFGS:    8 17:52:17      -16.539725        1.1134
BFGS:    9 17:52:17      -16.544531        1.2280
BFGS:   10 17:52:17      -16.550119        1.2523
BFGS:   11 17:52:17      -16.556505        1.1849
BFGS:   12 17:52:17      -16.563505        1.0141
BFGS:   13 17:52:17      -16.570370        0.7314
BFGS:   14 17:52:17      -16.575467        0.3631
BFGS:   15 17:52:17      -16.577137        0.0455
BFGS:   16 17:52:17      -16.577165        0.0054
BFGS:   17 17:52:17      -16.577165        0.0052
BFGS:   18 17:52:17      -16.577168        0.0081
BFGS:   19 17:52:17      -16.577174        0.0163
BFGS:   20 17:52:17      -16.577190        0.0300
BFGS:   21 17:52:17      -16.577227        0.0470
BFGS:   22 17:52:17      -16.577298        0.0617
BFGS:   23 17:52:17      -16.577398        0.0553
BFGS:   24 17:52:17      -16.577464        0.0232
BFGS:   25 17:52:17      -16.577474        0.0058
BFGS:   26 17:52:17      -16.577475        0.0008
BFGS:   27 17:52:17      -16.577475        0.0000
BFGS:   28 17:52:17      -16.577475        0.0000
BFGS:   29 17:52:17      -16.577475        0.0000
BFGS:   30 17:52:17      -16.577475        0.0000
Minimization converged after 30 steps.
Maximum force component: 4.324547687431684e-09 eV/Angstrom
Maximum stress component: 9.790430075651601e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[1.00888756e-01 1.00888756e-01 4.81308942e-33]
 [8.99111244e-01 8.99111244e-01 0.00000000e+00]
 [3.99111244e-01 6.00888756e-01 5.00000000e-01]
 [6.00888756e-01 3.99111244e-01 5.00000000e-01]]
cellpar =  Cell([[3.8420222992571813, -4.1899732363037544e-35, 8.987120456752149e-32], [-5.852503692090719e-35, 3.8420222992571853, 8.264060611102688e-18], [9.204636328565004e-33, 1.1178920921185502e-17, 4.901766782259043]])
forces =  [[-4.32454769e-09 -4.32454769e-09 -9.30195648e-27]
 [ 4.32454769e-09  4.32454769e-09  9.30195648e-27]
 [ 4.32454769e-09 -4.32454769e-09 -9.30195648e-27]
 [-4.32454769e-09  4.32454769e-09  9.30195648e-27]]
stress =  [ 9.79043008e-11  9.79043008e-11  9.24559901e-12  1.68847953e-27
  1.02265219e-35 -7.55587708e-51]
energy per atom =  -4.056270539009076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0