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_2011_Fe__MO_255315407910_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 10:59:54       -7.744083         1.920973
BFGS:    1 10:59:54       -7.818048         1.792297
BFGS:    2 10:59:54       -8.011423         1.314970
BFGS:    3 10:59:54       -8.142681         0.538257
BFGS:    4 10:59:55       -8.158509         0.393068
BFGS:    5 10:59:55       -8.161462         0.362232
BFGS:    6 10:59:55       -8.172225         0.094039
BFGS:    7 10:59:55       -8.172483         0.011967
BFGS:    8 10:59:55       -8.172487         0.000256
BFGS:    9 10:59:55       -8.172487         0.000001
BFGS:   10 10:59:55       -8.172487         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0546484592592946e-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([[2.643590449867518, 1.1341774501099641e-17, -5.6756039374538374e-37], [-1.321795224933759, 2.2894164867872036, -5.911915136246909e-37], [3.1835003425866784e-36, 2.1573286516603618e-35, 4.017073493653423]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.05464846e-10  3.05464846e-10  1.71961152e-10 -1.78700025e-33
 -7.73793806e-34 -7.68033628e-26]
energy per atom =  -4.086243714869653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0