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 14:56:37       -7.744083         1.920973
BFGS:    1 14:56:37       -7.818048         1.792297
BFGS:    2 14:56:37       -8.011423         1.314970
BFGS:    3 14:56:37       -8.142681         0.538257
BFGS:    4 14:56:37       -8.158509         0.393068
BFGS:    5 14:56:37       -8.161462         0.362232
BFGS:    6 14:56:37       -8.172225         0.094039
BFGS:    7 14:56:37       -8.172483         0.011967
BFGS:    8 14:56:37       -8.172487         0.000256
BFGS:    9 14:56:37       -8.172487         0.000001
BFGS:   10 14:56:37       -8.172487         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.300950242232054e-32 eV/Angstrom
Maximum stress component: 3.054657557968857e-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([[2.6435904498675193, -2.870817085367282e-17, 5.5507677283096614e-37], [-1.3217952249337597, 2.2894164867872044, 1.0034758473445015e-36], [-7.236053530517149e-38, 3.768302748817228e-36, 4.017073493653423]])
forces =  [[ 1.62923840e-32 -9.40641230e-33 -3.30095024e-32]
 [-1.62923840e-32  9.40641230e-33  3.30095024e-32]]
stress =  [ 3.05465756e-10  3.05465756e-10  1.71962056e-10 -2.90387540e-33
  2.24738292e-46 -9.21930330e-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