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 16:04:42      -53.382097       163.663046
BFGS:    1 16:04:42      -71.773659        87.030321
BFGS:    2 16:04:42      -80.834351        37.422693
BFGS:    3 16:04:42      -83.574234        12.506667
BFGS:    4 16:04:42      -84.001809         2.838483
BFGS:    5 16:04:42      -84.027928         0.316646
BFGS:    6 16:04:42      -84.028269         0.009476
BFGS:    7 16:04:42      -84.028269         0.000033
BFGS:    8 16:04:42      -84.028269         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5930939832617072e-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, -1.9567368284869938e-32, -5.801107151439205e-34], [-3.2929901235944564e-32, 3.6102542297965003, -2.890042452080464e-17], [1.4549657820940236e-32, -2.8900424520804634e-17, 3.6102542297965003]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.59309398e-10 -1.59309398e-10 -1.59309398e-10  6.83662284e-27
 -5.04363461e-33  2.18297359e-50]
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