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 15:59:48       -4.273211         0.766565
BFGS:    1 15:59:48       -4.287552         0.549427
BFGS:    2 15:59:48       -4.306503         0.373628
BFGS:    3 15:59:48       -4.313383         0.435351
BFGS:    4 15:59:48       -4.324592         0.372410
BFGS:    5 15:59:48       -4.329366         0.249861
BFGS:    6 15:59:48       -4.331992         0.054464
BFGS:    7 15:59:48       -4.332047         0.035087
BFGS:    8 15:59:48       -4.332124         0.025527
BFGS:    9 15:59:48       -4.332155         0.010604
BFGS:   10 15:59:48       -4.332159         0.002560
BFGS:   11 15:59:48       -4.332160         0.000970
BFGS:   12 15:59:48       -4.332160         0.000856
BFGS:   13 15:59:48       -4.332160         0.000590
BFGS:   14 15:59:48       -4.332160         0.000236
BFGS:   15 15:59:48       -4.332160         0.000049
BFGS:   16 15:59:48       -4.332160         0.000026
BFGS:   17 15:59:48       -4.332160         0.000022
BFGS:   18 15:59:48       -4.332160         0.000012
BFGS:   19 15:59:48       -4.332160         0.000003
BFGS:   20 15:59:48       -4.332160         0.000001
BFGS:   21 15:59:48       -4.332160         0.000000
BFGS:   22 15:59:48       -4.332160         0.000000
BFGS:   23 15:59:48       -4.332160         0.000000
BFGS:   24 15:59:48       -4.332160         0.000000
BFGS:   25 15:59:48       -4.332160         0.000000
BFGS:   26 15:59:48       -4.332160         0.000000
BFGS:   27 15:59:48       -4.332160         0.000000
BFGS:   28 15:59:48       -4.332160         0.000000
BFGS:   29 15:59:48       -4.332160         0.000000
BFGS:   30 15:59:48       -4.332160         0.000000
BFGS:   31 15:59:48       -4.332160         0.000000
BFGS:   32 15:59:49       -4.332160         0.000000
BFGS:   33 15:59:49       -4.332160         0.000000
BFGS:   34 15:59:49       -4.332160         0.000000
BFGS:   35 15:59:49       -4.332160         0.000000
BFGS:   36 15:59:49       -4.332160         0.000000
BFGS:   37 15:59:49       -4.332160         0.000000
BFGS:   38 15:59:49       -4.332160         0.000000
BFGS:   39 15:59:49       -4.332160         0.000000
BFGS:   40 15:59:49       -4.332160         0.000000
BFGS:   41 15:59:49       -4.332160         0.000000
Minimization converged after 41 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1479066742436686e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.610871856520747, 0.23354497076499756, -0.011676975738992065], [-0.23356034820416335, 3.6108870021746835, -0.004452126082340041], [-1.6806193012075035, -1.9185414820756401, 2.566669542683726]])
forces =  [[0. 0. 0.]]
stress =  [-2.12680275e-10  2.14790667e-10 -3.95332436e-11 -1.77811447e-10
 -8.01219936e-11 -4.41954912e-11]
energy per atom =  -4.332159692035008
===============================================
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.