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_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
==== 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 14:53:23      -27.057141        2.3000
BFGS:    1 14:53:23      -27.192932        1.9710
BFGS:    2 14:53:23      -27.364178        1.3729
BFGS:    3 14:53:23      -27.469484        0.6916
BFGS:    4 14:53:23      -27.503606        0.1061
BFGS:    5 14:53:23      -27.503908        0.0622
BFGS:    6 14:53:23      -27.504048        0.0453
BFGS:    7 14:53:23      -27.504325        0.0456
BFGS:    8 14:53:23      -27.504529        0.0274
BFGS:    9 14:53:23      -27.504599        0.0095
BFGS:   10 14:53:23      -27.504607        0.0021
BFGS:   11 14:53:23      -27.504607        0.0001
BFGS:   12 14:53:23      -27.504607        0.0000
BFGS:   13 14:53:23      -27.504607        0.0000
BFGS:   14 14:53:23      -27.504607        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.6860210327483927e-32 eV/Angstrom
Maximum stress component: 1.4533682959507227e-10 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([[2.5898104628517387, -3.605496460873841e-17, -1.527431805220659e-36], [-1.2949052314258693, 2.2428416518163417, -3.3285431796220843e-37], [-2.5341033136366996e-36, 3.0650337147768374e-36, 4.229142775825272]])
forces =  [[-2.12812524e-32 -3.68602103e-32  3.05730624e-68]
 [ 2.12812524e-32  3.68602103e-32 -3.05730624e-68]]
stress =  [-3.47772526e-11 -3.47772526e-11 -1.45336830e-10  6.93055840e-33
 -1.04820485e-45 -7.40716214e-27]
energy per atom =  -13.752303513346748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions