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_Marinica_2007_Fe__MO_466808877130_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 15:44:23       -7.530681         1.854600
BFGS:    1 15:44:23       -7.610192         1.814512
BFGS:    2 15:44:23       -7.785851         1.708122
BFGS:    3 15:44:23       -7.945383         1.139366
BFGS:    4 15:44:24       -8.028868         0.536570
BFGS:    5 15:44:24       -8.050182         0.197126
BFGS:    6 15:44:24       -8.052112         0.046663
BFGS:    7 15:44:24       -8.052219         0.035858
BFGS:    8 15:44:24       -8.052716         0.027568
BFGS:    9 15:44:24       -8.052832         0.016688
BFGS:   10 15:44:24       -8.052853         0.002137
BFGS:   11 15:44:24       -8.052853         0.000012
BFGS:   12 15:44:24       -8.052853         0.000000
BFGS:   13 15:44:24       -8.052853         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.492810137585514e-32 eV/Angstrom
Maximum stress component: 1.8145540954706622e-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([[2.6157269862755568, -1.7940475141069447e-17, 4.519294331433823e-37], [-1.3078634931377784, 2.2652860194791424, -9.694040785431656e-37], [4.533445840876761e-37, -4.801124104852713e-37, 4.309549930667924]])
forces =  [[-1.88074392e-32  2.32681716e-32 -1.08857666e-68]
 [ 3.49281014e-32 -1.39609030e-32  1.06164642e-68]]
stress =  [ 4.99395700e-12  4.99395700e-12  1.81455410e-11  7.36516180e-34
 -1.82240492e-34 -1.19355409e-28]
energy per atom =  -4.026426707032211
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0