element(s):
['In']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2972', '1.488839']
model name:
Sim_LAMMPS_Polymorphic_ZhouJonesChu_2017_GaInN__SM_887684855692_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['In']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.2972, 0, 0], [0, 3.2972, 0], [0, 0, 4.909]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:10:11       -4.957750        0.1393
BFGS:    1 17:10:11       -4.958094        0.1301
BFGS:    2 17:10:11       -4.959714        0.0544
BFGS:    3 17:10:11       -4.959812        0.0530
BFGS:    4 17:10:11       -4.962261        0.0197
BFGS:    5 17:10:11       -4.962340        0.0013
BFGS:    6 17:10:11       -4.962341        0.0002
BFGS:    7 17:10:11       -4.962341        0.0000
BFGS:    8 17:10:11       -4.962341        0.0000
BFGS:    9 17:10:11       -4.962341        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5859575259611245e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.335431695867634, -1.575577679714499e-36, -1.2052053840417654e-36], [-6.732601194743602e-37, 3.335431695867634, -1.4383406234919536e-18], [5.136049035512464e-50, -2.0487285774702455e-18, 4.717012740506795]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.58595753e-12  1.58595753e-12 -8.52310774e-13 -1.01945032e-28
 -1.95858024e-34  2.88861280e-50]
energy per atom =  -2.4811704505492234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.