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_001
==== 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 14:52:29       -4.273227         0.766379
BFGS:    1 14:52:29       -4.287562         0.549317
BFGS:    2 14:52:29       -4.306506         0.373508
BFGS:    3 14:52:29       -4.313382         0.435236
BFGS:    4 14:52:29       -4.324591         0.372391
BFGS:    5 14:52:29       -4.329365         0.249895
BFGS:    6 14:52:29       -4.331992         0.054475
BFGS:    7 14:52:29       -4.332047         0.035089
BFGS:    8 14:52:29       -4.332124         0.025546
BFGS:    9 14:52:29       -4.332155         0.010620
BFGS:   10 14:52:29       -4.332159         0.002565
BFGS:   11 14:52:29       -4.332160         0.000970
BFGS:   12 14:52:29       -4.332160         0.000857
BFGS:   13 14:52:29       -4.332160         0.000590
BFGS:   14 14:52:29       -4.332160         0.000236
BFGS:   15 14:52:29       -4.332160         0.000050
BFGS:   16 14:52:29       -4.332160         0.000026
BFGS:   17 14:52:30       -4.332160         0.000022
BFGS:   18 14:52:30       -4.332160         0.000012
BFGS:   19 14:52:30       -4.332160         0.000003
BFGS:   20 14:52:30       -4.332160         0.000001
BFGS:   21 14:52:30       -4.332160         0.000000
BFGS:   22 14:52:30       -4.332160         0.000000
BFGS:   23 14:52:30       -4.332160         0.000000
BFGS:   24 14:52:30       -4.332160         0.000000
BFGS:   25 14:52:30       -4.332160         0.000000
BFGS:   26 14:52:30       -4.332160         0.000000
BFGS:   27 14:52:30       -4.332160         0.000000
BFGS:   28 14:52:30       -4.332160         0.000000
BFGS:   29 14:52:30       -4.332160         0.000000
BFGS:   30 14:52:30       -4.332160         0.000000
BFGS:   31 14:52:30       -4.332160         0.000000
BFGS:   32 14:52:30       -4.332160         0.000000
BFGS:   33 14:52:30       -4.332160         0.000000
BFGS:   34 14:52:30       -4.332160         0.000000
BFGS:   35 14:52:30       -4.332160         0.000000
BFGS:   36 14:52:30       -4.332160         0.000000
BFGS:   37 14:52:30       -4.332160         0.000000
BFGS:   38 14:52:30       -4.332160         0.000000
BFGS:   39 14:52:31       -4.332160         0.000000
BFGS:   40 14:52:31       -4.332160         0.000000
BFGS:   41 14:52:31       -4.332160         0.000000
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.