element(s):
['In', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0358']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.0358, 0, 0], [0, 5.0358, 0], [0, 0, 5.0358]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:57      -30.039979         0.683918
BFGS:    1 15:17:58      -30.058616         0.588505
BFGS:    2 15:17:58      -30.114468         0.178550
BFGS:    3 15:17:58      -30.121538         0.042074
BFGS:    4 15:17:58      -30.122008         0.004998
BFGS:    5 15:17:58      -30.122015         0.000174
BFGS:    6 15:17:58      -30.122015         0.000001
BFGS:    7 15:17:58      -30.122015         0.000000
Minimization converged after 7 steps.
Maximum force component: 6.006979220996633e-25 eV/Angstrom
Maximum stress component: 7.797699036853415e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In', 'In', 'In', 'N', 'N', 'N', 'N']
basis =  [[1.53194677e-36 1.71755925e-50 1.71755925e-50]
 [1.77323187e-36 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.73519918e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.979651847875246, 2.0382933003076755e-33, 7.19371604929797e-34], [3.0427631220642508e-33, 4.979651847875246, -1.7939454198347545e-18], [-5.599564785347154e-34, -1.7939454198347568e-18, 4.979651847875246]])
forces =  [[-8.58139889e-26 -7.50872403e-26 -8.58139889e-26]
 [-4.29069944e-26 -4.29069944e-26 -4.29069944e-26]
 [-3.21802458e-26 -4.29069944e-26 -8.58139889e-26]
 [-8.58139889e-26 -8.58139889e-26 -3.21802458e-26]
 [-6.00697922e-25  2.14534972e-26  1.37221154e-25]
 [-3.34260763e-25 -5.45332623e-25 -3.00533650e-25]
 [-2.48446774e-25 -2.14534972e-25 -1.93081475e-25]
 [-2.57441967e-25 -4.54994131e-25 -4.50523442e-25]]
stress =  [ 7.79769904e-12  7.79769904e-12  7.79769904e-12  8.40401083e-28
  1.04244322e-27 -1.81992217e-44]
energy per atom =  -3.76525187500524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0