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_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_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 16:42:59      -39.638978         0.191810
BFGS:    1 16:42:59      -39.638716         0.217412
BFGS:    2 16:42:59      -39.639986         0.001523
BFGS:    3 16:42:59      -39.639986         0.000012
BFGS:    4 16:42:59      -39.639986         0.000000
Minimization converged after 4 steps.
Maximum force component: 3.852029806239442e-10 eV/Angstrom
Maximum stress component: 4.841879591223707e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.05443812 0.05443812 0.05443812]
 [0.44556188 0.94556188 0.55443812]
 [0.94556188 0.55443812 0.44556188]
 [0.55443812 0.44556188 0.94556188]
 [0.94556188 0.94556188 0.94556188]
 [0.55443812 0.05443812 0.44556188]
 [0.05443812 0.44556188 0.55443812]
 [0.44556188 0.55443812 0.05443812]]
cellpar =  Cell([[5.88612240652548, -6.8231002378027664e-37, 0.0], [-1.3634134903949734e-36, 5.88612240652548, 0.0], [0.0, 0.0, 5.88612240652548]])
forces =  [[ 3.85202981e-10  3.85202981e-10  3.85202981e-10]
 [-3.85202981e-10 -3.85202981e-10  3.85202981e-10]
 [-3.85202981e-10  3.85202981e-10 -3.85202981e-10]
 [ 3.85202981e-10 -3.85202981e-10 -3.85202981e-10]
 [-3.85202981e-10 -3.85202981e-10 -3.85202981e-10]
 [ 3.85202981e-10  3.85202981e-10 -3.85202981e-10]
 [ 3.85202981e-10 -3.85202981e-10  3.85202981e-10]
 [-3.85202981e-10  3.85202981e-10  3.85202981e-10]]
stress =  [-4.84187959e-12 -4.84187959e-12 -4.84187959e-12  0.00000000e+00
  0.00000000e+00  1.51792599e-32]
energy per atom =  -4.954998248209895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0