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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 18:02:59      -53.382097      163.6630
BFGS:    1 18:02:59      -71.773659       87.0303
BFGS:    2 18:02:59      -80.834351       37.4227
BFGS:    3 18:02:59      -83.574234       12.5067
BFGS:    4 18:02:59      -84.001809        2.8385
BFGS:    5 18:02:59      -84.027928        0.3166
BFGS:    6 18:02:59      -84.028269        0.0095
BFGS:    7 18:02:59      -84.028269        0.0000
BFGS:    8 18:02:59      -84.028269        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5930840296314787e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.6102542297965003, -1.7224601960939262e-32, -5.210592652299322e-33], [-2.625079531364229e-32, 3.6102542297965003, -2.83626933432362e-17], [1.6248882842782596e-32, -2.836269334323621e-17, 3.6102542297965003]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.59308403e-10 -1.59308403e-10 -1.59308403e-10  2.05752949e-26
  5.04363461e-33 -6.32225093e-49]
energy per atom =  -42.01413472356158
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0