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_SunZhangMendelev_2022_Fe__MO_044341472608_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 17:27:59       -3.719361        1.1460
BFGS:    1 17:27:59       -3.744536        0.3983
BFGS:    2 17:27:59       -3.751739        0.2772
BFGS:    3 17:27:59       -3.775573        0.5784
BFGS:    4 17:27:59       -3.845171        0.1978
BFGS:    5 17:27:59       -3.845655        0.2640
BFGS:    6 17:27:59       -3.847137        0.1086
BFGS:    7 17:27:59       -3.847389        0.0316
BFGS:    8 17:27:59       -3.847408        0.0019
BFGS:    9 17:27:59       -3.847408        0.0000
BFGS:   10 17:27:59       -3.847408        0.0000
BFGS:   11 17:27:59       -3.847408        0.0000
BFGS:   12 17:27:59       -3.847408        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8210568686974865e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4502217063628513, 5.261638917852424e-34, 2.5153496962029177e-33], [4.9356862931202576e-34, 2.450221706362851, -9.575629140038818e-21], [-2.6820289411479214e-33, -1.1047057900379768e-20, 2.4502217063099367]])
forces =  [[0. 0. 0.]]
stress =  [-1.48387502e-10 -1.48387502e-10 -1.82105687e-10 -8.86462384e-27
  3.69081491e-44 -3.43404177e-60]
energy per atom =  -3.8474077956969244
===============================================
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.