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 12:02:32      -17.581398         0.467086
BFGS:    1 12:02:32      -17.590247         0.359507
BFGS:    2 12:02:32      -17.603431         0.128982
BFGS:    3 12:02:33      -17.604542         0.067770
BFGS:    4 12:02:33      -17.604915         0.025040
BFGS:    5 12:02:33      -17.604950         0.012727
BFGS:    6 12:02:33      -17.604956         0.010479
BFGS:    7 12:02:33      -17.604960         0.006788
BFGS:    8 12:02:33      -17.604964         0.006603
BFGS:    9 12:02:33      -17.604969         0.003100
BFGS:   10 12:02:33      -17.604970         0.000883
BFGS:   11 12:02:33      -17.604970         0.000104
BFGS:   12 12:02:33      -17.604970         0.000006
BFGS:   13 12:02:33      -17.604970         0.000000
BFGS:   14 12:02:33      -17.604970         0.000000
Minimization converged after 14 steps.
Maximum force component: 7.193248745783477e-09 eV/Angstrom
Maximum stress component: 7.528762335383465e-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([[3.1779299965797785, 3.746834550489842e-18, -1.852404791033562e-37], [-1.5889649982898892, 2.7521681084866816, 1.9269905408474035e-37], [9.187939746458598e-37, 2.41876238262576e-36, 5.172620924115777]])
forces =  [[ 2.63342845e-25 -7.66998374e-26  7.19324875e-09]
 [-3.28590260e-25  1.89711675e-25  7.19324875e-09]
 [ 3.28590260e-25 -1.89711675e-25 -7.19324688e-09]
 [-2.69332772e-25  8.70746946e-26 -7.19324688e-09]]
stress =  [ 7.52876234e-10  7.52876234e-10  4.24607841e-10  3.58732407e-43
 -1.04834477e-27 -1.38102799e-25]
energy per atom =  -4.401242454234042
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0