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_AhmadGrohGhazisaeidi_2018_MgY__MO_135739722270_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 14:52:32       -4.279291         0.730306
BFGS:    1 14:52:32       -4.292479         0.553621
BFGS:    2 14:52:32       -4.315108         0.416434
BFGS:    3 14:52:32       -4.323116         0.454301
BFGS:    4 14:52:32       -4.333004         0.354239
BFGS:    5 14:52:32       -4.337605         0.213238
BFGS:    6 14:52:32       -4.339462         0.047488
BFGS:    7 14:52:32       -4.339506         0.032875
BFGS:    8 14:52:32       -4.339578         0.018057
BFGS:    9 14:52:32       -4.339592         0.006118
BFGS:   10 14:52:32       -4.339593         0.000836
BFGS:   11 14:52:32       -4.339593         0.000322
BFGS:   12 14:52:32       -4.339593         0.000230
BFGS:   13 14:52:32       -4.339593         0.000125
BFGS:   14 14:52:32       -4.339593         0.000052
BFGS:   15 14:52:32       -4.339593         0.000013
BFGS:   16 14:52:32       -4.339593         0.000009
BFGS:   17 14:52:32       -4.339593         0.000006
BFGS:   18 14:52:32       -4.339593         0.000003
BFGS:   19 14:52:32       -4.339593         0.000001
BFGS:   20 14:52:32       -4.339593         0.000000
BFGS:   21 14:52:32       -4.339593         0.000000
BFGS:   22 14:52:33       -4.339593         0.000000
BFGS:   23 14:52:33       -4.339593         0.000000
BFGS:   24 14:52:33       -4.339593         0.000000
BFGS:   25 14:52:33       -4.339593         0.000000
BFGS:   26 14:52:33       -4.339593         0.000000
BFGS:   27 14:52:33       -4.339593         0.000000
BFGS:   28 14:52:33       -4.339593         0.000000
BFGS:   29 14:52:33       -4.339593         0.000000
BFGS:   30 14:52:33       -4.339593         0.000000
Minimization converged after 30 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3034699683154382e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.608812207941247, 0.2334347561611592, -0.011643611124711668], [-0.23345001924241782, 3.6088272831400685, -0.004428817604317975], [-1.6796671445208622, -1.9174744342335788, 2.565182839520902]])
forces =  [[0. 0. 0.]]
stress =  [ 1.07767643e-10 -2.30346997e-10  1.19965898e-10 -1.54991306e-10
 -1.23128626e-10  8.15005815e-11]
energy per atom =  -4.339593282476135
===============================================
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.