element(s):
['N']
AFLOW prototype label:
A_oP2_51_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3041', '0.4598787', '0.18035076', '0.73032605']
model name:
Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.25       0.         0.73032605]]
spacegroup =  51
cell =  [[7.3041, 0, 0], [0, 3.359, 0], [0, 0, 1.3173]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 12:44:21       -5.087974       10.2739
BFGS:    1 12:44:21       -5.538208        7.7975
BFGS:    2 12:44:21       -5.873549        5.6708
BFGS:    3 12:44:21       -6.110422        3.8522
BFGS:    4 12:44:21       -6.263276        2.3042
BFGS:    5 12:44:21       -6.344803        0.9939
BFGS:    6 12:44:21       -6.365951        0.1403
BFGS:    7 12:44:21       -6.366420        0.0106
BFGS:    8 12:44:21       -6.366423        0.0001
BFGS:    9 12:44:21       -6.366423        0.0000
BFGS:   10 12:44:21       -6.366423        0.0000
Minimization converged after 10 steps.
Maximum force component: 1.4210854715202004e-14 eV/Angstrom
Maximum stress component: 8.546180414313355e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[0.25       0.         0.73032605]
 [0.75       0.         0.26967395]]
cellpar =  Cell([7.3041, 3.359, 1.5113890056559447])
forces =  [[ 0.00000000e+00  0.00000000e+00  1.42108547e-14]
 [ 0.00000000e+00  0.00000000e+00 -1.42108547e-14]]
stress =  [ 0.00000000e+00  0.00000000e+00 -8.54618041e-14  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -3.183211562966715
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0