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 15:00:36       -0.212870        0.0333
BFGS:    1 15:00:36       -0.212918        0.0333
BFGS:    2 15:00:36       -0.218076        0.0354
BFGS:    3 15:00:36       -0.223476        0.0364
BFGS:    4 15:00:36       -0.228909        0.0357
BFGS:    5 15:00:36       -0.234035        0.0322
BFGS:    6 15:00:36       -0.238338        0.0245
BFGS:    7 15:00:36       -0.241049        0.0106
BFGS:    8 15:00:36       -0.241374        0.0060
BFGS:    9 15:00:36       -0.241473        0.0008
BFGS:   10 15:00:36       -0.241475        0.0002
BFGS:   11 15:00:36       -0.241475        0.0003
BFGS:   12 15:00:36       -0.241475        0.0003
BFGS:   13 15:00:36       -0.241475        0.0003
BFGS:   14 15:00:36       -0.241475        0.0003
BFGS:   15 15:00:36       -0.241475        0.0002
BFGS:   16 15:00:36       -0.241475        0.0001
BFGS:   17 15:00:36       -0.241475        0.0000
BFGS:   18 15:00:36       -0.241475        0.0000
BFGS:   19 15:00:36       -0.241475        0.0000
BFGS:   20 15:00:36       -0.241475        0.0000
BFGS:   21 15:00:36       -0.241475        0.0000
Minimization converged after 21 steps.
Maximum force component: 1.6399728319350296e-34 eV/Angstrom
Maximum stress component: 3.458907181624388e-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([[3.4060903133354876, -1.0263377177061216e-17, 3.725048919164524e-37], [-1.7030451566677438, 2.9497607389326297, -1.046359084327464e-38], [2.5231353270509073e-36, -1.061093848297287e-36, 5.560294327679253]])
forces =  [[ 1.63997283e-34 -9.46838756e-35  1.22928411e-71]
 [-1.63997283e-34  9.46838756e-35 -1.22928411e-71]]
stress =  [3.45890718e-11 3.45890718e-11 3.10101056e-11 8.80678060e-36
 1.69486572e-36 7.86131128e-28]
energy per atom =  -0.03263915953725932
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0