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 09:57:24      -16.483424         2.736362
BFGS:    1 09:57:24      -15.765005        11.870791
BFGS:    2 09:57:24      -16.528877         0.177095
BFGS:    3 09:57:24      -16.529184         0.052912
BFGS:    4 09:57:24      -16.529346         0.061113
BFGS:    5 09:57:24      -16.530104         0.250052
BFGS:    6 09:57:24      -16.531731         0.501124
BFGS:    7 09:57:24      -16.535601         0.889951
BFGS:    8 09:57:24      -16.539725         1.113399
BFGS:    9 09:57:24      -16.544531         1.228039
BFGS:   10 09:57:24      -16.550119         1.252314
BFGS:   11 09:57:24      -16.556505         1.184902
BFGS:   12 09:57:24      -16.563505         1.014121
BFGS:   13 09:57:24      -16.570370         0.731396
BFGS:   14 09:57:24      -16.575467         0.363100
BFGS:   15 09:57:24      -16.577137         0.045539
BFGS:   16 09:57:24      -16.577165         0.005359
BFGS:   17 09:57:24      -16.577165         0.005200
BFGS:   18 09:57:24      -16.577168         0.008065
BFGS:   19 09:57:24      -16.577174         0.016348
BFGS:   20 09:57:24      -16.577190         0.029986
BFGS:   21 09:57:24      -16.577227         0.046988
BFGS:   22 09:57:24      -16.577298         0.061722
BFGS:   23 09:57:24      -16.577398         0.055293
BFGS:   24 09:57:24      -16.577464         0.023224
BFGS:   25 09:57:24      -16.577474         0.005824
BFGS:   26 09:57:24      -16.577475         0.000792
BFGS:   27 09:57:24      -16.577475         0.000045
BFGS:   28 09:57:24      -16.577475         0.000004
BFGS:   29 09:57:24      -16.577475         0.000000
BFGS:   30 09:57:24      -16.577475         0.000000
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