element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
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:
['2.4403', '1.5759538']
model name:
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:52:30       -8.176347        0.6109
BFGS:    1 14:52:30       -8.190361        0.5709
BFGS:    2 14:52:30       -8.223284        0.3639
BFGS:    3 14:52:30       -8.226649        0.1896
BFGS:    4 14:52:30       -8.227991        0.1555
BFGS:    5 14:52:30       -8.232675        0.0737
BFGS:    6 14:52:30       -8.233209        0.0246
BFGS:    7 14:52:30       -8.233261        0.0058
BFGS:    8 14:52:30       -8.233263        0.0001
BFGS:    9 14:52:30       -8.233263        0.0000
BFGS:   10 14:52:30       -8.233263        0.0000
BFGS:   11 14:52:30       -8.233263        0.0000
Minimization converged after 11 steps.
Maximum force component: 2.5411509729936476e-33 eV/Angstrom
Maximum stress component: 3.431172006664429e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.473951915150807, -1.5590638849298615e-19, -3.48093900726222e-36], [-1.2369759575754036, 2.142505206261763, -1.9363135463717213e-36], [-3.6533073922092306e-37, -1.0628031035260283e-35, 4.039946560191446]])
forces =  [[ 2.54115097e-33 -1.60141217e-52 -3.57549049e-69]
 [-2.54115097e-33  1.60141217e-52  3.57549049e-69]]
stress =  [-4.16118223e-13 -4.16118223e-13 -3.43117201e-12 -1.08286566e-33
 -2.31235685e-34  1.02015368e-28]
energy per atom =  -4.11663141707078
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0