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 10:57:28       -8.176223         0.625333
BFGS:    1 10:57:28       -8.190682         0.570947
BFGS:    2 10:57:29       -8.221991         0.401761
BFGS:    3 10:57:29       -8.226834         0.179244
BFGS:    4 10:57:29       -8.227981         0.151277
BFGS:    5 10:57:29       -8.233244         0.016370
BFGS:    6 10:57:29       -8.233262         0.003469
BFGS:    7 10:57:29       -8.233263         0.000056
BFGS:    8 10:57:29       -8.233263         0.000003
BFGS:    9 10:57:29       -8.233263         0.000000
BFGS:   10 10:57:29       -8.233263         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.0164604466426988e-32 eV/Angstrom
Maximum stress component: 7.09275543465976e-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, -9.068244107448354e-18, -1.654827393313107e-36], [-1.2369760274830766, 2.142505327345406, 1.9227533101858286e-36], [-4.786458055797694e-36, 1.3681841228339907e-35, 4.039946788420709]])
forces =  [[-1.01646045e-32  3.72582461e-50  6.79910748e-69]
 [-1.01646045e-32  3.72582461e-50  6.79910748e-69]]
stress =  [-3.84190021e-11 -3.84190021e-11 -7.09275543e-11 -3.56010587e-34
 -2.05542808e-34 -4.31172782e-27]
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