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 10:54:30       -3.719361         1.146042
BFGS:    1 10:54:30       -3.744536         0.398269
BFGS:    2 10:54:30       -3.751739         0.277168
BFGS:    3 10:54:30       -3.775573         0.578383
BFGS:    4 10:54:30       -3.845171         0.197843
BFGS:    5 10:54:30       -3.845655         0.263976
BFGS:    6 10:54:30       -3.847137         0.108582
BFGS:    7 10:54:30       -3.847389         0.031649
BFGS:    8 10:54:30       -3.847408         0.001924
BFGS:    9 10:54:31       -3.847408         0.000024
BFGS:   10 10:54:31       -3.847408         0.000001
BFGS:   11 10:54:31       -3.847408         0.000000
BFGS:   12 10:54:31       -3.847408         0.000000
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.