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:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== 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 21:07:51       -7.950279         3.079924
BFGS:    1 21:07:51       -8.167319         1.821168
BFGS:    2 21:07:51       -8.297448         0.846500
BFGS:    3 21:07:51       -8.332991         0.257101
BFGS:    4 21:07:51       -8.334878         0.121567
BFGS:    5 21:07:51       -8.335345         0.087626
BFGS:    6 21:07:51       -8.336380         0.085933
BFGS:    7 21:07:51       -8.336964         0.047494
BFGS:    8 21:07:51       -8.337131         0.014886
BFGS:    9 21:07:51       -8.337145         0.002744
BFGS:   10 21:07:51       -8.337146         0.000101
BFGS:   11 21:07:51       -8.337146         0.000007
BFGS:   12 21:07:51       -8.337146         0.000000
BFGS:   13 21:07:51       -8.337146         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.4467282605801593e-32 eV/Angstrom
Maximum stress component: 1.1127265309341771e-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([[2.5465514534744558, -1.425203359828402e-17, -6.431753128168563e-37], [-1.2732757267372279, 2.2053782507530646, 4.746553904374091e-37], [5.8698645368125865e-37, 2.0782504713857383e-35, 4.168219358184537]])
forces =  [[-2.87729476e-32  2.26528214e-32  8.83935673e-69]
 [ 4.44672826e-32 -3.17139500e-32 -1.34321325e-68]]
stress =  [-2.12015666e-11 -2.12015666e-11 -1.11272653e-10 -1.39674001e-34
  5.32229425e-34  6.64167504e-27]
energy per atom =  -4.168572981621468
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0