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 15:59:37      -20.388893        42.167604
BFGS:    1 15:59:37      -22.597188         3.855385
BFGS:    2 15:59:37      -22.919258         2.712225
BFGS:    3 15:59:37      -22.869548         4.575941
BFGS:    4 15:59:37      -22.968398         0.952119
BFGS:    5 15:59:37      -22.965660         1.463084
BFGS:    6 15:59:37      -22.974038         0.453876
BFGS:    7 15:59:37      -22.973205         0.652627
BFGS:    8 15:59:37      -22.974533         0.190611
BFGS:    9 15:59:37      -22.974624         0.110688
BFGS:   10 15:59:37      -22.974666         0.031926
BFGS:   11 15:59:37      -22.974654         0.062190
BFGS:   12 15:59:37      -22.974669         0.000724
BFGS:   13 15:59:37      -22.974669         0.000218
BFGS:   14 15:59:37      -22.974669         0.000041
BFGS:   15 15:59:37      -22.974669         0.000001
BFGS:   16 15:59:37      -22.974669         0.000000
BFGS:   17 15:59:37      -22.974669         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.15387818916269e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.6875691118703284, 0.23927722429105866, -0.011410965770421283], [-0.23929067100421283, 3.687583681556923, -0.004039941804642397], [-1.716272361004656, -1.9600573005087785, 2.6207125590137093]])
forces =  [[0. 0. 0.]]
stress =  [ 8.35484295e-11  3.30635380e-11  1.15387819e-10 -4.90135518e-11
 -1.14038813e-11  2.03486983e-11]
energy per atom =  -22.97466907333326
===============================================
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.