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 13:56:26      -27.057141         2.299979
BFGS:    1 13:56:26      -27.192932         1.971017
BFGS:    2 13:56:26      -27.364178         1.372909
BFGS:    3 13:56:26      -27.469484         0.691587
BFGS:    4 13:56:26      -27.503606         0.106097
BFGS:    5 13:56:26      -27.503908         0.062162
BFGS:    6 13:56:26      -27.504048         0.045308
BFGS:    7 13:56:26      -27.504325         0.045601
BFGS:    8 13:56:26      -27.504529         0.027433
BFGS:    9 13:56:26      -27.504599         0.009519
BFGS:   10 13:56:26      -27.504607         0.002110
BFGS:   11 13:56:26      -27.504607         0.000094
BFGS:   12 13:56:26      -27.504607         0.000006
BFGS:   13 13:56:26      -27.504607         0.000000
BFGS:   14 13:56:27      -27.504607         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.0217189737211132e-31 eV/Angstrom
Maximum stress component: 1.4534008421998045e-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([[2.5898104628517413, -2.4284270151417927e-17, 3.472140507756199e-37], [-1.2949052314258707, 2.242841651816344, 1.0670323891455344e-36], [-1.989328397830471e-36, 8.950714614567731e-36, 4.229142775825261]])
forces =  [[-5.32031309e-32  1.84301052e-32  3.06180162e-69]
 [-2.02171897e-31  1.29010736e-31  4.42579105e-68]]
stress =  [-3.47764108e-11 -3.47764108e-11 -1.45340084e-10  2.42569544e-32
 -9.87532846e-46  2.83379621e-27]
energy per atom =  -13.752303513346735
===============================================
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