element(s):
['Fe', 'Nb']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.146']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.146, 0, 0], [0, 4.146, 0], [0, 0, 4.146]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:44:01      -26.470343         1.521335
BFGS:    1 16:44:01      -26.562468         1.302384
BFGS:    2 16:44:01      -26.717037         0.745872
BFGS:    3 16:44:01      -26.782237         0.109483
BFGS:    4 16:44:01      -26.783544         0.008652
BFGS:    5 16:44:01      -26.783552         0.000090
BFGS:    6 16:44:01      -26.783552         0.000000
BFGS:    7 16:44:01      -26.783552         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6043104528883766e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Nb', 'Nb', 'Nb']
basis =  [[0.000000e+00 0.000000e+00 0.000000e+00]
 [0.000000e+00 5.000000e-01 5.000000e-01]
 [5.000000e-01 0.000000e+00 5.000000e-01]
 [5.000000e-01 5.000000e-01 1.920383e-34]]
cellpar =  Cell([[4.011553835229529, -1.8626234661427903e-32, -1.971208608452088e-32], [-2.090798774951082e-32, 4.011553835229529, 9.700158858762812e-18], [-3.625092999324271e-33, 9.700158858762823e-18, 4.011553835229529]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.60431045e-14 -3.60431045e-14 -3.60431045e-14  1.62085984e-30
  2.98783330e-62  3.81376262e-62]
energy per atom =  -6.695888008977694
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0