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_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
==== 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 17:03:17       -0.049485        9.1195
BFGS:    1 17:03:17       -0.466003        7.5742
BFGS:    2 17:03:17       -0.809914        6.2097
BFGS:    3 17:03:17       -1.089483        4.9960
BFGS:    4 17:03:17       -1.311623        3.9089
BFGS:    5 17:03:17       -1.482159        2.9290
BFGS:    6 17:03:17       -1.606047        2.0408
BFGS:    7 17:03:17       -1.687567        1.2325
BFGS:    8 17:03:17       -1.730479        0.4953
BFGS:    9 17:03:17       -1.739336        0.0368
BFGS:   10 17:03:17       -1.739387        0.0012
BFGS:   11 17:03:17       -1.739387        0.0000
BFGS:   12 17:03:17       -1.739387        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6623372524913034e-11 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, -4.300230599257003e-35, 0.0], [-1.9775844502271698e-35, 3.359, 0.0], [0.0, 0.0, 1.6047218851838096]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 0.00000000e+00  0.00000000e+00 -1.66233725e-11  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -0.8696933835128792
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0