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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 17:08:57       -7.046716        5.8519
BFGS:    1 17:08:57       -7.963881        6.5225
BFGS:    2 17:08:57       -8.956580        7.1160
BFGS:    3 17:08:57      -10.005317        7.5696
BFGS:    4 17:08:57      -11.059020        7.7173
BFGS:    5 17:08:57      -12.034064        7.2998
BFGS:    6 17:08:57      -12.829468        6.0673
BFGS:    7 17:08:57      -13.342890        3.6627
BFGS:    8 17:08:57      -13.503972        0.5123
BFGS:    9 17:08:57      -13.507161        0.2050
BFGS:   10 17:08:57      -13.508151        0.0755
BFGS:   11 17:08:57      -13.508229        0.0025
BFGS:   12 17:08:57      -13.508229        0.0001
BFGS:   13 17:08:57      -13.508229        0.0000
BFGS:   14 17:08:58      -13.508229        0.0000
BFGS:   15 17:08:58      -13.508229        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.02083855307123e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7617750892378092, 3.4884634331560127e-35, 1.441529285083418e-33], [-6.244580338276015e-35, 2.7617750892378097, 9.263179473173933e-17], [-2.214022482240488e-33, 1.3905332210479529e-16, 3.905739787405447]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.11514196e-13  5.11514196e-13 -1.02083855e-11  3.05450646e-27
  2.85672776e-33 -8.74525439e-49]
energy per atom =  -6.754114527007257
===============================================
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.