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 17:15:40       -5.087974        10.273937
BFGS:    1 17:15:40       -5.538208         7.797476
BFGS:    2 17:15:40       -5.873549         5.670840
BFGS:    3 17:15:40       -6.110422         3.852172
BFGS:    4 17:15:40       -6.263276         2.304230
BFGS:    5 17:15:40       -6.344803         0.993898
BFGS:    6 17:15:40       -6.365951         0.140302
BFGS:    7 17:15:40       -6.366420         0.010643
BFGS:    8 17:15:40       -6.366423         0.000128
BFGS:    9 17:15:40       -6.366423         0.000000
BFGS:   10 17:15:40       -6.366423         0.000000
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