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_KimJungLee_2010_FeNbC__MO_072689718616_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 15:55:11      -11.964519        10.303043
BFGS:    1 15:55:11      -13.266841         7.162976
BFGS:    2 15:55:11      -14.141555         4.586237
BFGS:    3 15:55:11      -14.666577         2.487190
BFGS:    4 15:55:11      -14.907601         0.792492
BFGS:    5 15:55:11      -14.939197         0.120304
BFGS:    6 15:55:11      -14.939997         0.007401
BFGS:    7 15:55:11      -14.940000         0.000076
BFGS:    8 15:55:11      -14.940000         0.000000
BFGS:    9 15:55:11      -14.940000         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9282106236176493e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3024435688392733, 3.306499775968281e-33, -2.286133277577059e-33], [9.459857773179366e-34, 3.3024435688392733, 9.97135172716011e-18], [5.7106289434872396e-33, 9.971351727160045e-18, 3.3024435688392737]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.92821062e-14 -1.92821062e-14 -1.92821062e-14  3.36414314e-30
 -1.17727634e-35  2.57038026e-51]
energy per atom =  -7.46999992068958
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0