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 17:21:24       -4.957750         0.139347
BFGS:    1 17:21:24       -4.958094         0.130089
BFGS:    2 17:21:24       -4.959714         0.054441
BFGS:    3 17:21:24       -4.959812         0.053042
BFGS:    4 17:21:25       -4.962261         0.019686
BFGS:    5 17:21:25       -4.962340         0.001338
BFGS:    6 17:21:25       -4.962341         0.000248
BFGS:    7 17:21:25       -4.962341         0.000021
BFGS:    8 17:21:25       -4.962341         0.000000
BFGS:    9 17:21:26       -4.962341         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5860239533346894e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3354316958676336, 6.350609707566569e-35, -8.171771312605911e-35], [9.440924890757708e-35, 3.3354316958676336, 6.107696597696222e-18], [7.390053369274692e-33, 9.068639200653978e-18, 4.717012740506798]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.58602395e-12  1.58602395e-12 -8.52207174e-13 -1.38933295e-28
 -1.95858024e-34 -2.70207355e-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.