element(s):
['Y']
AFLOW prototype label:
A_aP1_2_a
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4592', '1.005695', '1.0092218', '115.6738', '115.2689', '97.4039']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Y']
representative atom coordinates =  [[0 0 0]]
spacegroup =  2
cell =  [[3.4592, 0, 0], [-0.44830182882812, 3.4498942998691, 0], [-1.4902356169066, -1.7188762868458, 2.6481014570107]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:37:13      -20.388893       42.1676
BFGS:    1 16:37:13      -22.597188        3.8554
BFGS:    2 16:37:13      -22.919258        2.7122
BFGS:    3 16:37:13      -22.869548        4.5759
BFGS:    4 16:37:13      -22.968398        0.9521
BFGS:    5 16:37:13      -22.965660        1.4631
BFGS:    6 16:37:13      -22.974038        0.4539
BFGS:    7 16:37:13      -22.973205        0.6526
BFGS:    8 16:37:13      -22.974533        0.1906
BFGS:    9 16:37:13      -22.974624        0.1107
BFGS:   10 16:37:13      -22.974666        0.0319
BFGS:   11 16:37:13      -22.974654        0.0622
BFGS:   12 16:37:13      -22.974669        0.0007
BFGS:   13 16:37:13      -22.974669        0.0002
BFGS:   14 16:37:13      -22.974669        0.0000
BFGS:   15 16:37:13      -22.974669        0.0000
BFGS:   16 16:37:13      -22.974669        0.0000
BFGS:   17 16:37:13      -22.974669        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1538514193530327e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.687569111870327, 0.23927722429105444, -0.011410965770420455], [-0.2392906710042086, 3.6875836815569247, -0.004039941804642601], [-1.716272361004657, -1.9600573005087754, 2.620712559013708]])
forces =  [[0. 0. 0.]]
stress =  [ 8.35429087e-11  3.30644502e-11  1.15385142e-10 -4.90100316e-11
 -1.14029249e-11  2.03482593e-11]
energy per atom =  -22.97466907333327
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_aP1_2_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.