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_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_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      -22.136102         1.848968
BFGS:    1 09:57:24      -21.202402        19.812218
BFGS:    2 09:57:24      -22.146493         0.356600
BFGS:    3 09:57:24      -22.146866         0.063279
BFGS:    4 09:57:24      -22.146880         0.009459
BFGS:    5 09:57:24      -22.146882         0.009441
BFGS:    6 09:57:24      -22.146932         0.074930
BFGS:    7 09:57:24      -22.147003         0.128380
BFGS:    8 09:57:24      -22.147139         0.164051
BFGS:    9 09:57:24      -22.147240         0.116146
BFGS:   10 09:57:24      -22.147277         0.038837
BFGS:   11 09:57:24      -22.147282         0.002482
BFGS:   12 09:57:24      -22.147283         0.002807
BFGS:   13 09:57:24      -22.147283         0.004086
BFGS:   14 09:57:24      -22.147285         0.009584
BFGS:   15 09:57:24      -22.147289         0.017552
BFGS:   16 09:57:24      -22.147298         0.029753
BFGS:   17 09:57:24      -22.147319         0.045216
BFGS:   18 09:57:24      -22.147357         0.057658
BFGS:   19 09:57:24      -22.147404         0.049974
BFGS:   20 09:57:24      -22.147431         0.016182
BFGS:   21 09:57:24      -22.147434         0.000131
BFGS:   22 09:57:24      -22.147434         0.000651
BFGS:   23 09:57:24      -22.147434         0.000101
BFGS:   24 09:57:24      -22.147434         0.000008
BFGS:   25 09:57:24      -22.147434         0.000000
BFGS:   26 09:57:24      -22.147434         0.000000
Minimization converged after 26 steps.
Maximum force component: 3.0059486566337043e-09 eV/Angstrom
Maximum stress component: 4.9463622787314203e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[9.27508303e-02 9.27508303e-02 0.00000000e+00]
 [9.07249170e-01 9.07249170e-01 4.47609239e-33]
 [4.07249170e-01 5.92750830e-01 5.00000000e-01]
 [5.92750830e-01 4.07249170e-01 5.00000000e-01]]
cellpar =  Cell([[4.264286534218881, -1.3474970764090756e-35, 1.6698402389207768e-31], [-3.2804859673629184e-35, 4.26428653421888, -1.7767885581446905e-17], [-3.351864867869536e-32, -2.5207607822270643e-17, 5.507460776857539]])
forces =  [[-3.00594866e-09 -3.00594866e-09  1.25248037e-26]
 [ 3.00594866e-09  3.00594866e-09 -1.25248032e-26]
 [ 3.00594866e-09 -3.00594866e-09  1.25248045e-26]
 [-3.00594866e-09  3.00594866e-09 -1.25248037e-26]]
stress =  [ 4.94636228e-11  4.94636228e-11  8.02381956e-12 -6.08466321e-28
  8.20054480e-36  6.45020361e-52]
energy per atom =  -5.432285644662116
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0