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 17:21:41       -7.046716         5.851891
BFGS:    1 17:21:41       -7.963881         6.522520
BFGS:    2 17:21:41       -8.956580         7.116030
BFGS:    3 17:21:41      -10.005317         7.569576
BFGS:    4 17:21:41      -11.059020         7.717330
BFGS:    5 17:21:41      -12.034064         7.299772
BFGS:    6 17:21:41      -12.829468         6.067317
BFGS:    7 17:21:41      -13.342890         3.662730
BFGS:    8 17:21:41      -13.503972         0.512331
BFGS:    9 17:21:41      -13.507161         0.205044
BFGS:   10 17:21:41      -13.508151         0.075460
BFGS:   11 17:21:41      -13.508229         0.002451
BFGS:   12 17:21:41      -13.508229         0.000058
BFGS:   13 17:21:41      -13.508229         0.000004
BFGS:   14 17:21:41      -13.508229         0.000000
BFGS:   15 17:21:41      -13.508229         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0202333288046846e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7617750892378106, -9.477375785127125e-35, -1.7075495065027716e-32], [1.3973637085577225e-35, 2.76177508923781, -5.649123881634375e-17], [7.362868429205177e-33, -8.624754038056575e-17, 3.9057397874054502]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.16549967e-13  5.16549967e-13 -1.02023333e-11 -5.28547057e-28
 -4.57076441e-33 -2.61197461e-49]
energy per atom =  -6.754114527007256
===============================================
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.