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 14:44:28      -26.470343        1.5213
BFGS:    1 14:44:28      -26.562468        1.3024
BFGS:    2 14:44:28      -26.717037        0.7459
BFGS:    3 14:44:28      -26.782237        0.1095
BFGS:    4 14:44:28      -26.783544        0.0087
BFGS:    5 14:44:28      -26.783552        0.0001
BFGS:    6 14:44:28      -26.783552        0.0000
BFGS:    7 14:44:28      -26.783552        0.0000
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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.84076599e-34]]
cellpar =  Cell([[4.011553835229529, 3.955587928976643e-33, -2.4111118118694903e-33], [3.674228077689042e-33, 4.011553835229529, 9.70023888178785e-18], [9.453739147287699e-33, 9.700238881787845e-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  1.15559404e-29
 -1.59571002e-35  1.20187568e-51]
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