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_KimJeonLee_2015_MgY__MO_018428823000_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 16:37:36       -4.273211        0.7666
BFGS:    1 16:37:36       -4.287552        0.5494
BFGS:    2 16:37:36       -4.306503        0.3736
BFGS:    3 16:37:36       -4.313383        0.4354
BFGS:    4 16:37:36       -4.324592        0.3724
BFGS:    5 16:37:36       -4.329366        0.2499
BFGS:    6 16:37:36       -4.331992        0.0545
BFGS:    7 16:37:36       -4.332047        0.0351
BFGS:    8 16:37:36       -4.332124        0.0255
BFGS:    9 16:37:36       -4.332155        0.0106
BFGS:   10 16:37:36       -4.332159        0.0026
BFGS:   11 16:37:36       -4.332160        0.0010
BFGS:   12 16:37:36       -4.332160        0.0009
BFGS:   13 16:37:36       -4.332160        0.0006
BFGS:   14 16:37:36       -4.332160        0.0002
BFGS:   15 16:37:36       -4.332160        0.0000
BFGS:   16 16:37:36       -4.332160        0.0000
BFGS:   17 16:37:36       -4.332160        0.0000
BFGS:   18 16:37:36       -4.332160        0.0000
BFGS:   19 16:37:36       -4.332160        0.0000
BFGS:   20 16:37:36       -4.332160        0.0000
BFGS:   21 16:37:36       -4.332160        0.0000
BFGS:   22 16:37:36       -4.332160        0.0000
BFGS:   23 16:37:36       -4.332160        0.0000
BFGS:   24 16:37:36       -4.332160        0.0000
BFGS:   25 16:37:36       -4.332160        0.0000
BFGS:   26 16:37:37       -4.332160        0.0000
BFGS:   27 16:37:37       -4.332160        0.0000
BFGS:   28 16:37:37       -4.332160        0.0000
BFGS:   29 16:37:37       -4.332160        0.0000
BFGS:   30 16:37:37       -4.332160        0.0000
BFGS:   31 16:37:37       -4.332160        0.0000
BFGS:   32 16:37:37       -4.332160        0.0000
BFGS:   33 16:37:37       -4.332160        0.0000
BFGS:   34 16:37:37       -4.332160        0.0000
BFGS:   35 16:37:37       -4.332160        0.0000
BFGS:   36 16:37:37       -4.332160        0.0000
BFGS:   37 16:37:37       -4.332160        0.0000
BFGS:   38 16:37:37       -4.332160        0.0000
BFGS:   39 16:37:37       -4.332160        0.0000
BFGS:   40 16:37:37       -4.332160        0.0000
BFGS:   41 16:37:37       -4.332160        0.0000
Minimization converged after 41 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.147903334274366e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.610871856520746, 0.2335449707649904, -0.011676975738988788], [-0.23356034820415628, 3.6108870021746817, -0.004452126082340069], [-1.6806193012075092, -1.9185414820756355, 2.5666695426837243]])
forces =  [[0. 0. 0.]]
stress =  [-2.12680535e-10  2.14790333e-10 -3.95334069e-11 -1.77811438e-10
 -8.01220452e-11 -4.41954713e-11]
energy per atom =  -4.332159692035006
===============================================
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.