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 14:56:25       -8.052798         2.490601
BFGS:    1 14:56:25       -8.195506         1.767413
BFGS:    2 14:56:25       -8.322757         0.967603
BFGS:    3 14:56:25       -8.381709         0.358405
BFGS:    4 14:56:25       -8.390598         0.102869
BFGS:    5 14:56:25       -8.390962         0.051985
BFGS:    6 14:56:25       -8.391059         0.040135
BFGS:    7 14:56:25       -8.391303         0.035866
BFGS:    8 14:56:25       -8.391435         0.018568
BFGS:    9 14:56:25       -8.391473         0.006086
BFGS:   10 14:56:25       -8.391476         0.001099
BFGS:   11 14:56:25       -8.391476         0.000042
BFGS:   12 14:56:25       -8.391476         0.000002
BFGS:   13 14:56:25       -8.391476         0.000000
BFGS:   14 14:56:25       -8.391476         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.442609010779334e-32 eV/Angstrom
Maximum stress component: 4.019923944725083e-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, 2.7483189138349233e-18, -2.0251093614051535e-36], [-1.2828678051767168, 2.2219922179604454, -2.9396432459203872e-36], [3.191704517968777e-36, -7.166858049113316e-35, 4.189464363710913]])
forces =  [[-1.05417110e-32  9.12938954e-33 -3.44260901e-32]
 [ 2.63542776e-32 -1.82587791e-32  3.44260901e-32]]
stress =  [-3.33917881e-12 -3.33917881e-12 -4.01992394e-11 -5.51706605e-34
 -1.91116774e-34  2.76997061e-28]
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