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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 14:56:22       -8.017176         4.322593
BFGS:    1 14:56:22       -8.362190         2.358609
BFGS:    2 14:56:22       -8.527036         0.738430
BFGS:    3 14:56:22       -8.553948         0.185230
BFGS:    4 14:56:22       -8.556083         0.051226
BFGS:    5 14:56:22       -8.556196         0.036415
BFGS:    6 14:56:22       -8.556236         0.036849
BFGS:    7 14:56:22       -8.556297         0.021944
BFGS:    8 14:56:22       -8.556314         0.006622
BFGS:    9 14:56:22       -8.556316         0.000970
BFGS:   10 14:56:22       -8.556316         0.000073
BFGS:   11 14:56:22       -8.556316         0.000005
BFGS:   12 14:56:22       -8.556316         0.000000
BFGS:   13 14:56:22       -8.556316         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.33527814250641e-32 eV/Angstrom
Maximum stress component: 8.70023314874526e-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([[2.5698941247875307, -8.948171313879692e-18, -2.2279757137082088e-36], [-1.2849470623937653, 2.225593597102378, -5.1469262367295897e-36], [1.415337193376207e-35, -1.8381296366100335e-35, 4.093078792782098]])
forces =  [[-6.33527814e-32  3.65767454e-32 -4.79717907e-68]
 [ 3.16763907e-32 -1.82883727e-32  2.39858953e-68]]
stress =  [-8.70023315e-11 -8.70023315e-11 -4.00100044e-11  5.63784653e-35
 -9.76503664e-35  1.58109069e-26]
energy per atom =  -4.27815803082387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0