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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 14:56:23       -8.176223         0.625333
BFGS:    1 14:56:23       -8.190682         0.570947
BFGS:    2 14:56:23       -8.221991         0.401761
BFGS:    3 14:56:23       -8.226834         0.179244
BFGS:    4 14:56:23       -8.227981         0.151277
BFGS:    5 14:56:23       -8.233244         0.016370
BFGS:    6 14:56:23       -8.233262         0.003469
BFGS:    7 14:56:23       -8.233263         0.000056
BFGS:    8 14:56:23       -8.233263         0.000003
BFGS:    9 14:56:23       -8.233263         0.000000
BFGS:   10 14:56:23       -8.233263         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.541151116606747e-33 eV/Angstrom
Maximum stress component: 7.092809484878934e-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([[2.473952054966153, -8.53059312424379e-18, 1.584933711334077e-36], [-1.2369760274830766, 2.1425053273454044, 1.2659347540793066e-36], [-6.917005603920286e-37, 4.3287398307221877e-38, 4.039946788420709]])
forces =  [[-2.54115112e-33  8.76230653e-51 -1.62798469e-69]
 [-1.27057556e-33  2.20070142e-33  1.30032088e-69]]
stress =  [-3.84200126e-11 -3.84200126e-11 -7.09280948e-11  9.49361565e-34
  1.64434246e-33  2.20750949e-28]
energy per atom =  -4.116631420207765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0