element(s):
['In', 'N']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6823']
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.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.6823, 0, 0], [0, 4.6823, 0], [0, 0, 4.6823]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:48:18      -13.623396        13.528777
BFGS:    1 16:48:19      -15.366487         9.998335
BFGS:    2 16:48:19      -16.694779         7.888598
BFGS:    3 16:48:20      -17.773860         6.596256
BFGS:    4 16:48:20      -18.694441         5.726014
BFGS:    5 16:48:21      -19.501894         5.064145
BFGS:    6 16:48:21      -20.218989         4.510033
BFGS:    7 16:48:22      -20.857807         4.011340
BFGS:    8 16:48:23      -21.423904         3.536755
BFGS:    9 16:48:23      -21.918300         3.051110
BFGS:   10 16:48:24      -22.337415         2.529363
BFGS:   11 16:48:24      -22.674486         1.955630
BFGS:   12 16:48:25      -22.921397         1.328284
BFGS:   13 16:48:25      -23.070955         0.661035
BFGS:   14 16:48:26      -23.119026         0.013820
BFGS:   15 16:48:26      -23.119047         0.000067
BFGS:   16 16:48:27      -23.119047         0.000000
BFGS:   17 16:48:27      -23.119047         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4386056648335242e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In', 'In', 'In', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.04138075e-67 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.091132139548301, 1.1717605200063137e-33, -3.2989380155016896e-33], [-2.0947576077082362e-33, 5.091132139548301, 2.3042459547150602e-17], [-1.2689132346946924e-32, 2.3042459547150627e-17, 5.091132139548301]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.43860566e-15  1.43860566e-15  1.43860566e-15 -3.10408407e-33
  3.96287593e-35  4.48979822e-51]
energy per atom =  -2.8898808331137102
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0