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_SaLee_2008_FeTi__MO_260546967793_001
==== 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 15:45:51       -8.075626         3.113872
BFGS:    1 15:45:51       -8.339898         1.870067
BFGS:    2 15:45:51       -8.488848         0.765191
BFGS:    3 15:45:51       -8.519318         0.195939
BFGS:    4 15:45:51       -8.520558         0.078941
BFGS:    5 15:45:51       -8.520706         0.055468
BFGS:    6 15:45:51       -8.521060         0.054584
BFGS:    7 15:45:51       -8.521323         0.037820
BFGS:    8 15:45:51       -8.521425         0.012996
BFGS:    9 15:45:51       -8.521437         0.003133
BFGS:   10 15:45:51       -8.521438         0.000164
BFGS:   11 15:45:51       -8.521438         0.000010
BFGS:   12 15:45:51       -8.521438         0.000000
BFGS:   13 15:45:51       -8.521438         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.7385537128015845e-32 eV/Angstrom
Maximum stress component: 2.875306540575286e-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([[2.562914328851897, -2.59295387703449e-17, -2.979673811074226e-36], [-1.2814571644259485, 2.219548916508889, -2.977900788114347e-36], [1.2645577326209755e-35, -2.889581744389657e-35, 4.135204056704961]])
forces =  [[ 4.73855371e-32 -2.73580526e-32 -3.39802168e-32]
 [-4.73855371e-32  2.73580526e-32  3.39802168e-32]]
stress =  [-1.14572728e-10 -1.14572728e-10 -2.87530654e-10  8.95297835e-34
  7.75350669e-34 -2.55057419e-26]
energy per atom =  -4.26071880883941
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0