element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.2256', '1.0359004']
model name:
EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:54       -3.297202         1.014146
BFGS:    1 16:39:54       -3.310954         0.662309
BFGS:    2 16:39:54       -3.313392         0.612718
BFGS:    3 16:39:54       -3.316328         0.108044
BFGS:    4 16:39:54       -3.316438         0.013615
BFGS:    5 16:39:54       -3.316440         0.001580
BFGS:    6 16:39:54       -3.316440         0.000407
BFGS:    7 16:39:54       -3.316440         0.000002
BFGS:    8 16:39:54       -3.316440         0.000000
BFGS:    9 16:39:54       -3.316440         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.457014469321528e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.237054966559605, 1.0735480160770529e-35, -1.3444774966136014e-33], [2.20159596871019e-34, 2.2370549665596053, -2.5463766611856686e-19], [1.6258125184597476e-33, -2.5242457550848456e-19, 2.2370549665507338]])
forces =  [[0. 0. 0.]]
stress =  [-6.95763529e-12 -6.95763529e-12 -2.45701447e-11  4.31898354e-27
 -1.50330550e-37  2.42769938e-53]
energy per atom =  -3.1750187983249125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.