element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:07:52       -8.456215         1.128478
BFGS:    1 16:07:52       -8.505480         0.904798
BFGS:    2 16:07:52       -8.579873         0.041375
BFGS:    3 16:07:52       -8.579996         0.007208
BFGS:    4 16:07:52       -8.580000         0.000045
BFGS:    5 16:07:52       -8.580000         0.000000
BFGS:    6 16:07:52       -8.580000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.729283444873493e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863657333035674, -3.962453678112515e-33, -1.00069194341897e-33], [-6.0926458093818685e-33, 2.863657333035674, -3.8234308420955134e-19], [-2.0883238609541753e-33, -3.823430842095991e-19, 2.863657333035674]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.72928344e-14 -2.72928344e-14 -2.72928344e-14 -4.58570230e-30
  7.82847436e-36  1.27238693e-51]
energy per atom =  -4.290000011128765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0