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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 15:42:09       -8.479389         3.860881
BFGS:    1 15:42:09       -8.728024         1.468457
BFGS:    2 15:42:09       -8.780046         0.626200
BFGS:    3 15:42:09       -8.794630         0.254992
BFGS:    4 15:42:09       -8.797498         0.129856
BFGS:    5 15:42:09       -8.798115         0.069861
BFGS:    6 15:42:09       -8.798361         0.068848
BFGS:    7 15:42:09       -8.798792         0.066910
BFGS:    8 15:42:09       -8.799140         0.040035
BFGS:    9 15:42:09       -8.799283         0.011775
BFGS:   10 15:42:09       -8.799294         0.001835
BFGS:   11 15:42:09       -8.799294         0.000080
BFGS:   12 15:42:09       -8.799294         0.000005
BFGS:   13 15:42:09       -8.799294         0.000000
BFGS:   14 15:42:09       -8.799294         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.379818738262267e-32 eV/Angstrom
Maximum stress component: 1.0329101889361328e-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([[2.518719721905581, -2.0718514683085735e-17, 4.0575071932145905e-37], [-1.2593598609527905, 2.18127526418311, 2.4030108140804408e-36], [6.284630114657657e-36, 7.899364582645648e-36, 4.113052082131949]])
forces =  [[ 3.23391849e-34 -5.60131113e-34  3.37981874e-32]
 [-3.23391849e-33  1.12026223e-33 -3.37981874e-32]]
stress =  [-1.67113580e-11 -1.67113580e-11 -1.03291019e-10 -1.43111503e-35
 -2.47876395e-35  4.72941559e-27]
energy per atom =  -4.399647222929189
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0