element(s):
['In', 'N']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5621', '1.6200837', '0.99844112', '0.37655888']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['In', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.49844112]
 [0.33333333 0.66666667 0.87655888]]
spacegroup =  186
cell =  [[3.5621, 0, 0], [-1.78105, 3.0848690908205, 0], [0, 0, 5.7709]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:46:01      -15.049316        0.6018
BFGS:    1 15:46:01      -15.061867        0.4498
BFGS:    2 15:46:01      -15.080082        0.0854
BFGS:    3 15:46:01      -15.080889        0.0381
BFGS:    4 15:46:01      -15.081006        0.0222
BFGS:    5 15:46:01      -15.081054        0.0152
BFGS:    6 15:46:01      -15.081079        0.0131
BFGS:    7 15:46:01      -15.081090        0.0132
BFGS:    8 15:46:01      -15.081103        0.0125
BFGS:    9 15:46:01      -15.081118        0.0094
BFGS:   10 15:46:01      -15.081130        0.0048
BFGS:   11 15:46:01      -15.081134        0.0015
BFGS:   12 15:46:01      -15.081135        0.0002
BFGS:   13 15:46:01      -15.081135        0.0000
BFGS:   14 15:46:01      -15.081135        0.0000
BFGS:   15 15:46:01      -15.081135        0.0000
BFGS:   16 15:46:01      -15.081135        0.0000
Minimization converged after 16 steps.
Maximum force component: 6.271123835499549e-09 eV/Angstrom
Maximum stress component: 2.351754719970589e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.49953354]
 [0.66666666 0.33333334 0.99953354]
 [0.33333333 0.66666667 0.87546646]
 [0.66666666 0.33333334 0.37546646]]
cellpar =  Cell([[3.5263715679376992, 3.540586056231358e-18, 3.950064649000083e-37], [-1.7631857839688496, 3.0539273610172115, -4.881379009604703e-37], [1.3380848289319084e-36, -1.374929777514507e-37, 5.712840575722058]])
forces =  [[-1.21539425e-25 -1.22180269e-43  6.27112384e-09]
 [ 6.07697124e-26 -1.05256229e-25  6.27112384e-09]
 [ 6.07697124e-26  1.05256229e-25 -6.27112270e-09]
 [ 6.07697124e-26  1.05256229e-25 -6.27112270e-09]]
stress =  [-2.35175472e-10 -2.35175472e-10 -2.28017833e-10  1.35165754e-45
  5.58330842e-46 -1.48954352e-26]
energy per atom =  -3.77028365973828
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0