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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 14:54:31       -7.943414        2.9660
BFGS:    1 14:54:31       -8.192372        1.9092
BFGS:    2 14:54:31       -8.352266        0.8942
BFGS:    3 14:54:31       -8.397170        0.2251
BFGS:    4 14:54:31       -8.398834        0.0960
BFGS:    5 14:54:31       -8.399058        0.0672
BFGS:    6 14:54:31       -8.399560        0.0640
BFGS:    7 14:54:31       -8.399923        0.0427
BFGS:    8 14:54:31       -8.400057        0.0140
BFGS:    9 14:54:31       -8.400072        0.0033
BFGS:   10 14:54:31       -8.400073        0.0002
BFGS:   11 14:54:31       -8.400073        0.0000
BFGS:   12 14:54:31       -8.400073        0.0000
BFGS:   13 14:54:31       -8.400073        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.0556887458543979e-32 eV/Angstrom
Maximum stress component: 2.9308128102613285e-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([[2.5694293868861076, -1.957657342296321e-17, 4.4677504319663917e-38], [-1.2847146934430538, 2.2251911222736442, 2.5180198982938627e-37], [-6.093616961500639e-37, 1.3547714642491062e-35, 4.155364533579842]])
forces =  [[-1.05568875e-32  8.04332991e-50 -1.83564253e-70]
 [ 1.05568875e-32 -8.04332991e-50  1.83564253e-70]]
stress =  [-1.07273237e-10 -1.07273237e-10 -2.93081281e-10 -3.88804077e-34
  9.62040594e-35  2.81584873e-26]
energy per atom =  -4.200036403111065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0