element(s):
['N']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0707', '1.631341']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.0707, 0, 0], [-2.03535, 3.5253296111853, 0], [0, 0, 6.6407]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:23       -0.212870         0.033291
BFGS:    1 15:04:23       -0.212918         0.033315
BFGS:    2 15:04:23       -0.218076         0.035421
BFGS:    3 15:04:23       -0.223476         0.036440
BFGS:    4 15:04:23       -0.228909         0.035695
BFGS:    5 15:04:23       -0.234035         0.032181
BFGS:    6 15:04:23       -0.238338         0.024479
BFGS:    7 15:04:23       -0.241049         0.010614
BFGS:    8 15:04:23       -0.241374         0.006028
BFGS:    9 15:04:23       -0.241473         0.000796
BFGS:   10 15:04:23       -0.241475         0.000216
BFGS:   11 15:04:23       -0.241475         0.000252
BFGS:   12 15:04:23       -0.241475         0.000256
BFGS:   13 15:04:23       -0.241475         0.000279
BFGS:   14 15:04:23       -0.241475         0.000279
BFGS:   15 15:04:23       -0.241475         0.000227
BFGS:   16 15:04:23       -0.241475         0.000118
BFGS:   17 15:04:23       -0.241475         0.000036
BFGS:   18 15:04:23       -0.241475         0.000007
BFGS:   19 15:04:23       -0.241475         0.000001
BFGS:   20 15:04:23       -0.241475         0.000000
BFGS:   21 15:04:23       -0.241475         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.855663292075724e-33 eV/Angstrom
Maximum stress component: 3.458907485107144e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.4060903133354867, 2.3589217965392076e-17, -1.0896041166124743e-37], [-1.7030451566677434, 2.949760738932631, 9.060041558622017e-38], [1.2748916905424559e-37, -3.940451811497726e-36, 5.5602943276792525]])
forces =  [[-6.06911866e-51 -1.89367751e-34  2.85566329e-33]
 [ 6.55989133e-34 -5.68103254e-34 -2.85566329e-33]]
stress =  [ 3.45890749e-11  3.45890749e-11  3.10101033e-11 -9.47952078e-36
 -2.86008590e-36  4.03945682e-27]
energy per atom =  -0.03263915953725928
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0