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:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_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 16:17:56       -0.000945         0.219655
BFGS:    1 16:17:56       -0.002565         0.124006
BFGS:    2 16:17:56       -0.003303         0.003687
BFGS:    3 16:17:56       -0.003304         0.000060
BFGS:    4 16:17:56       -0.003304         0.000000
BFGS:    5 16:17:56       -0.003304         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2671031987855658e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3264647330193466, -6.705749414427115e-33, -4.935619580390096e-33], [-1.2352256290132896e-32, 3.3264647330193466, -2.225154854901648e-20], [-3.430072657658773e-33, -2.225154854901929e-20, 3.3264647330193466]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.26710320e-14 -1.26710320e-14 -1.26710320e-14 -3.49656808e-31
  1.74050245e-35  2.49139604e-51]
energy per atom =  -7.8114152628885165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0