element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
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 =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:24       -7.877870         1.258433
BFGS:    1 16:53:24       -7.939556         1.021399
BFGS:    2 16:53:24       -8.029634         0.126440
BFGS:    3 16:53:24       -8.030768         0.019957
BFGS:    4 16:53:24       -8.030797         0.000191
BFGS:    5 16:53:24       -8.030797         0.000000
BFGS:    6 16:53:24       -8.030797         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3739238613909175e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8548759787875726, -1.990801907794827e-33, -2.8773096471973167e-33], [-1.2759667932159745e-32, 2.8548759787875726, 4.812262904711302e-19], [4.620920650136674e-34, 4.812262904710799e-19, 2.8548759787875726]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.37392386e-13 -3.37392386e-13 -3.37392386e-13 -1.03024162e-29
 -7.87670786e-36 -1.00396651e-52]
energy per atom =  -3.8739766622227676
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0