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:
Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000
==== 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 17:05:42      -14.959424         0.630277
BFGS:    1 17:05:42      -14.974720         0.498039
BFGS:    2 17:05:42      -14.988177         0.327143
BFGS:    3 17:05:42      -14.993162         0.067259
BFGS:    4 17:05:42      -14.993413         0.005329
BFGS:    5 17:05:42      -14.993414         0.000103
BFGS:    6 17:05:42      -14.993414         0.000000
BFGS:    7 17:05:42      -14.993414         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2649826032095903e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.284958675363732, 1.4078800280792996e-33, 3.9796636995987174e-33], [1.0868042637893075e-32, 3.284958675363732, -3.5556817955475355e-18], [1.5261267644019101e-32, -3.5556817955475386e-18, 3.284958675363732]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.26498260e-13  2.26498260e-13  2.26498260e-13  1.36577834e-29
 -3.33155845e-34 -1.47823566e-50]
energy per atom =  -7.496707143066259
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0