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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== 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 16:56:08       -8.446077         1.093316
BFGS:    1 16:56:08       -8.492099         0.867709
BFGS:    2 16:56:08       -8.559999         0.001876
BFGS:    3 16:56:08       -8.559999         0.000264
BFGS:    4 16:56:08       -8.559999         0.000000
BFGS:    5 16:56:08       -8.559999         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9695398570072418e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.867570172415915, 1.0204445659807859e-32, -5.562277804149201e-34], [6.316614255168011e-33, 2.867570172415915, 1.2713186531291141e-20], [-1.343062550092198e-32, 1.271318653125967e-20, 2.8675701724159146]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.96953986e-13 -1.96953986e-13 -1.96953986e-13 -3.39944654e-29
  4.99655988e-34  4.04991558e-50]
energy per atom =  -4.279999597184826
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0