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 17:53:18       -7.877870        1.2584
BFGS:    1 17:53:18       -7.939556        1.0214
BFGS:    2 17:53:18       -8.029634        0.1264
BFGS:    3 17:53:18       -8.030768        0.0200
BFGS:    4 17:53:18       -8.030797        0.0002
BFGS:    5 17:53:18       -8.030797        0.0000
BFGS:    6 17:53:18       -8.030797        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3739238613909165e-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, -2.2514766174970085e-33, -1.4771501539569543e-33], [-1.7383517659589757e-33, 2.8548759787875726, 1.848794721947105e-18], [-7.532055221213028e-33, 1.848794721947065e-18, 2.8548759787875726]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.37392386e-13 -3.37392386e-13 -3.37392386e-13 -3.37543090e-29
  2.44177944e-34 -4.13026662e-50]
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