element(s):
['N']
AFLOW prototype label:
A_cP8_198_2a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9467', '0.062777283', '0.95474']
model name:
Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.06277728 0.06277728 0.06277728]
 [0.95474    0.95474    0.95474   ]]
spacegroup =  198
cell =  [[5.9467, 0, 0], [0, 5.9467, 0], [0, 0, 5.9467]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:42:58      -39.638705         0.231962
BFGS:    1 17:42:58      -39.637383         0.334313
BFGS:    2 17:42:58      -39.640000         0.002655
BFGS:    3 17:42:58      -39.640000         0.000019
BFGS:    4 17:42:59      -39.640000         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.6675034686386425e-09 eV/Angstrom
Maximum stress component: 2.032832044480134e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.062644   0.062644   0.062644  ]
 [0.437356   0.937356   0.562644  ]
 [0.937356   0.562644   0.437356  ]
 [0.562644   0.437356   0.937356  ]
 [0.95487329 0.95487329 0.95487329]
 [0.54512671 0.04512671 0.45487329]
 [0.04512671 0.45487329 0.54512671]
 [0.45487329 0.54512671 0.04512671]]
cellpar =  Cell([5.946509145871387, 5.946509145871387, 5.946509145871387])
forces =  [[ 1.66750347e-09  1.66750347e-09  1.66750347e-09]
 [-1.66750347e-09 -1.66750347e-09  1.66750347e-09]
 [-1.66750347e-09  1.66750347e-09 -1.66750347e-09]
 [ 1.66750347e-09 -1.66750347e-09 -1.66750347e-09]
 [-1.66750347e-09 -1.66750347e-09 -1.66750347e-09]
 [ 1.66750347e-09  1.66750347e-09 -1.66750347e-09]
 [ 1.66750347e-09 -1.66750347e-09  1.66750347e-09]
 [-1.66750347e-09  1.66750347e-09  1.66750347e-09]]
stress =  [-2.03283204e-11 -2.03283204e-11 -2.03283204e-11  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.955000017080313
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0