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:
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
==== 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 16:38:01       -4.273227        0.7664
BFGS:    1 16:38:01       -4.287562        0.5493
BFGS:    2 16:38:01       -4.306506        0.3735
BFGS:    3 16:38:01       -4.313382        0.4352
BFGS:    4 16:38:01       -4.324591        0.3724
BFGS:    5 16:38:01       -4.329365        0.2499
BFGS:    6 16:38:01       -4.331992        0.0545
BFGS:    7 16:38:01       -4.332047        0.0351
BFGS:    8 16:38:01       -4.332124        0.0255
BFGS:    9 16:38:01       -4.332155        0.0106
BFGS:   10 16:38:01       -4.332159        0.0026
BFGS:   11 16:38:01       -4.332160        0.0010
BFGS:   12 16:38:01       -4.332160        0.0009
BFGS:   13 16:38:01       -4.332160        0.0006
BFGS:   14 16:38:01       -4.332160        0.0002
BFGS:   15 16:38:01       -4.332160        0.0000
BFGS:   16 16:38:01       -4.332160        0.0000
BFGS:   17 16:38:01       -4.332160        0.0000
BFGS:   18 16:38:01       -4.332160        0.0000
BFGS:   19 16:38:01       -4.332160        0.0000
BFGS:   20 16:38:01       -4.332160        0.0000
BFGS:   21 16:38:01       -4.332160        0.0000
BFGS:   22 16:38:01       -4.332160        0.0000
BFGS:   23 16:38:01       -4.332160        0.0000
BFGS:   24 16:38:01       -4.332160        0.0000
BFGS:   25 16:38:01       -4.332160        0.0000
BFGS:   26 16:38:01       -4.332160        0.0000
BFGS:   27 16:38:01       -4.332160        0.0000
BFGS:   28 16:38:01       -4.332160        0.0000
BFGS:   29 16:38:01       -4.332160        0.0000
BFGS:   30 16:38:01       -4.332160        0.0000
BFGS:   31 16:38:01       -4.332160        0.0000
BFGS:   32 16:38:01       -4.332160        0.0000
BFGS:   33 16:38:01       -4.332160        0.0000
BFGS:   34 16:38:01       -4.332160        0.0000
BFGS:   35 16:38:01       -4.332160        0.0000
BFGS:   36 16:38:01       -4.332160        0.0000
BFGS:   37 16:38:01       -4.332160        0.0000
BFGS:   38 16:38:01       -4.332160        0.0000
BFGS:   39 16:38:01       -4.332160        0.0000
BFGS:   40 16:38:01       -4.332160        0.0000
BFGS:   41 16:38:01       -4.332160        0.0000
Minimization converged after 41 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1521803424924391e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.6108744353184385, 0.23354511120069282, -0.01167700722220368], [-0.23356048875496377, 3.6108895810328927, -0.0044521514419548075], [-1.680620499248084, -1.9185428224539505, 2.5666713971793493]])
forces =  [[0. 0. 0.]]
stress =  [-2.13027127e-10  2.15218034e-10 -3.95690311e-11 -1.78092632e-10
 -8.02406547e-11 -4.42736261e-11]
energy per atom =  -4.332159786920718
===============================================
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.