element(s):
['Nb']
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:
['3.3383']
model name:
MEAM_LAMMPS_YangQi_2019_Nb__MO_360068930164_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3383, 0, 0], [0, 3.3383, 0], [0, 0, 3.3383]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:00      -13.990554         0.281466
BFGS:    1 16:05:00      -13.993242         0.163917
BFGS:    2 16:05:00      -13.994602         0.002712
BFGS:    3 16:05:00      -13.994603         0.000025
BFGS:    4 16:05:00      -13.994603         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9646981851900324e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3223804633474474, -1.147309610346506e-34, 1.214665818160733e-32], [-1.183480972339093e-34, 3.3223804633474474, 4.661084325098134e-22], [-4.2461630054791347e-33, 4.661084325272046e-22, 3.3223804633474474]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.96469819e-10  1.96469819e-10  1.96469819e-10 -4.61103919e-26
 -1.03118015e-58 -4.08352952e-61]
energy per atom =  -6.997301419694697
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0