element(s):
['Fe', 'Nb']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0158']
model name:
MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Nb']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0158, 0, 0], [0, 4.0158, 0], [0, 0, 4.0158]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 02:59:25      -19.573208        2.2716
BFGS:    1 02:59:25      -19.802444        2.5871
BFGS:    2 02:59:25      -20.137463        1.8406
BFGS:    3 02:59:25      -20.378361        1.4000
BFGS:    4 02:59:25      -20.555470        0.9493
BFGS:    5 02:59:25      -20.659270        0.4210
BFGS:    6 02:59:25      -20.681294        0.0621
BFGS:    7 02:59:25      -20.681745        0.0033
BFGS:    8 02:59:25      -20.681746        0.0000
BFGS:    9 02:59:25      -20.681746        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.557692058437021e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Nb']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.7473153408389037, 2.5777672409232367e-33, 1.6625874821465806e-34], [4.872911340854194e-33, 3.7473153408389037, -3.956109253927252e-18], [-1.2350289133225265e-33, -3.9561092539272506e-18, 3.7473153408389037]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.55769206e-10 -6.55769206e-10 -6.55769206e-10 -4.02184504e-27
 -1.46294745e-34 -3.48722835e-51]
energy per atom =  -5.170436489129494
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0