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_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_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 14:53:39       -8.052798        2.4906
BFGS:    1 14:53:39       -8.195506        1.7674
BFGS:    2 14:53:39       -8.322757        0.9676
BFGS:    3 14:53:39       -8.381709        0.3584
BFGS:    4 14:53:39       -8.390598        0.1029
BFGS:    5 14:53:39       -8.390962        0.0520
BFGS:    6 14:53:39       -8.391059        0.0401
BFGS:    7 14:53:39       -8.391303        0.0359
BFGS:    8 14:53:39       -8.391435        0.0186
BFGS:    9 14:53:39       -8.391473        0.0061
BFGS:   10 14:53:39       -8.391476        0.0011
BFGS:   11 14:53:39       -8.391476        0.0000
BFGS:   12 14:53:39       -8.391476        0.0000
BFGS:   13 14:53:39       -8.391476        0.0000
BFGS:   14 14:53:39       -8.391476        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.442609010779334e-32 eV/Angstrom
Maximum stress component: 4.019919122078914e-11 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([[2.5657356103534337, 2.485944892623469e-18, 1.239601579859081e-36], [-1.2828678051767168, 2.2219922179604454, 1.0848336559280288e-36], [-7.466553123793825e-37, 1.0928301000496233e-35, 4.189464363710913]])
forces =  [[-1.97657082e-33  3.42352108e-33  3.44260901e-32]
 [ 1.97657082e-33 -3.42352108e-33 -3.44260901e-32]]
stress =  [-3.33903788e-12 -3.33903788e-12 -4.01991912e-11  7.72389248e-34
  9.55583872e-35  4.22365862e-29]
energy per atom =  -4.195738135108435
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0