element(s):
['Ga', '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:
['3.205', '1.6289236', '0.00016799968', '0.376832']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.500168  ]
 [0.33333333 0.66666667 0.876832  ]]
spacegroup =  186
cell =  [[3.205, 0, 0], [-1.6025, 2.7756114191291, 0], [0, 0, 5.2207]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:46:01      -17.581398        0.4671
BFGS:    1 15:46:01      -17.590247        0.3595
BFGS:    2 15:46:01      -17.603431        0.1290
BFGS:    3 15:46:01      -17.604542        0.0678
BFGS:    4 15:46:01      -17.604915        0.0250
BFGS:    5 15:46:01      -17.604950        0.0127
BFGS:    6 15:46:01      -17.604956        0.0105
BFGS:    7 15:46:01      -17.604960        0.0068
BFGS:    8 15:46:01      -17.604964        0.0066
BFGS:    9 15:46:01      -17.604969        0.0031
BFGS:   10 15:46:01      -17.604970        0.0009
BFGS:   11 15:46:01      -17.604970        0.0001
BFGS:   12 15:46:01      -17.604970        0.0000
BFGS:   13 15:46:01      -17.604970        0.0000
BFGS:   14 15:46:01      -17.604970        0.0000
Minimization converged after 14 steps.
Maximum force component: 7.194589213017218e-09 eV/Angstrom
Maximum stress component: 7.510839906882059e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.50118985]
 [0.66666666 0.33333334 0.00118985]
 [0.33333333 0.66666667 0.87581015]
 [0.66666666 0.33333334 0.37581015]]
cellpar =  Cell([[3.177929996580173, 3.799582965437463e-18, -1.756483703206066e-38], [-1.5889649982900864, 2.752168108487023, -1.5638402208780205e-38], [-5.165544949347858e-37, 1.1611383941336049e-36, 5.172620924115321]])
forces =  [[-7.18474725e-46  1.61502532e-45  7.19458921e-09]
 [ 8.55703802e-27 -1.48212246e-26  7.19458921e-09]
 [-1.14450384e-25  8.52220416e-27 -7.19458809e-09]
 [ 5.47650434e-26 -9.48558376e-26 -7.19458809e-09]]
stress =  [ 7.51083991e-10  7.51083991e-10  4.24584760e-10 -3.43522509e-43
 -2.09668953e-27  1.10775055e-25]
energy per atom =  -4.401242454232343
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0