element(s):
['N']
AFLOW prototype label:
A_cP8_205_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8863', '0.054565089']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.05456509 0.05456509 0.05456509]]
spacegroup =  205
cell =  [[5.8863, 0, 0], [0, 5.8863, 0], [0, 0, 5.8863]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:44:22      -32.975144         2.682874
BFGS:    1 16:44:22      -31.681310        11.317515
BFGS:    2 16:44:22      -33.062055         0.188490
BFGS:    3 16:44:22      -33.062599         0.052980
BFGS:    4 16:44:22      -33.062744         0.045957
BFGS:    5 16:44:22      -33.063598         0.175555
BFGS:    6 16:44:22      -33.065365         0.358422
BFGS:    7 16:44:22      -33.069780         0.640802
BFGS:    8 16:44:22      -33.074500         0.810998
BFGS:    9 16:44:22      -33.079742         0.921670
BFGS:   10 16:44:22      -33.085441         0.994946
BFGS:   11 16:44:22      -33.091525         1.040771
BFGS:   12 16:44:22      -33.097939         1.063891
BFGS:   13 16:44:22      -33.104636         1.066502
BFGS:   14 16:44:22      -33.111566         1.049416
BFGS:   15 16:44:22      -33.118663         1.012663
BFGS:   16 16:44:22      -33.125837         0.955907
BFGS:   17 16:44:22      -33.132956         0.878793
BFGS:   18 16:44:22      -33.139834         0.781299
BFGS:   19 16:44:22      -33.146226         0.664020
BFGS:   20 16:44:22      -33.151835         0.528241
BFGS:   21 16:44:22      -33.156325         0.375518
BFGS:   22 16:44:22      -33.159347         0.206254
BFGS:   23 16:44:22      -33.160501         0.025776
BFGS:   24 16:44:22      -33.160512         0.001545
BFGS:   25 16:44:22      -33.160512         0.000004
BFGS:   26 16:44:22      -33.160512         0.000000
BFGS:   27 16:44:22      -33.160512         0.000000
Minimization converged after 27 steps.
Maximum force component: 5.489130612105311e-10 eV/Angstrom
Maximum stress component: 8.520695998612105e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.06040897 0.06040897 0.06040897]
 [0.43959103 0.93959103 0.56040897]
 [0.93959103 0.56040897 0.43959103]
 [0.56040897 0.43959103 0.93959103]
 [0.93959103 0.93959103 0.93959103]
 [0.56040897 0.06040897 0.43959103]
 [0.06040897 0.43959103 0.56040897]
 [0.43959103 0.56040897 0.06040897]]
cellpar =  Cell([[5.239158503877824, 6.851010845268675e-37, 0.0], [3.1854989740244486e-35, 5.239158503877824, 0.0], [0.0, 0.0, 5.239158503877824]])
forces =  [[-5.48913061e-10 -5.48913061e-10 -5.48913061e-10]
 [ 5.48913061e-10  5.48913061e-10 -5.48913061e-10]
 [ 5.48913061e-10 -5.48913061e-10  5.48913061e-10]
 [-5.48913061e-10  5.48913061e-10  5.48913061e-10]
 [ 5.48913061e-10  5.48913061e-10  5.48913061e-10]
 [-5.48913061e-10 -5.48913061e-10  5.48913061e-10]
 [-5.48913061e-10  5.48913061e-10 -5.48913061e-10]
 [ 5.48913061e-10 -5.48913061e-10 -5.48913061e-10]]
stress =  [8.52069600e-12 8.52069600e-12 8.52069600e-12 0.00000000e+00
 0.00000000e+00 9.57979253e-33]
energy per atom =  -4.056965662557755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0