element(s):
['Nb']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2522']
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 =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:53        0.524504         0.928252
BFGS:    1 15:27:53        0.491058         0.749830
BFGS:    2 15:27:53        0.439576         0.116357
BFGS:    3 15:27:53        0.438603         0.018774
BFGS:    4 15:27:53        0.438576         0.000361
BFGS:    5 15:27:54        0.438576         0.000001
BFGS:    6 15:27:54        0.438576         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.809399507914898e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.1910794135416465, 2.5980780310044363e-32, 4.715110506748789e-33], [2.303897923606383e-32, 4.1910794135416465, -1.564449552025793e-18], [-3.913009233669848e-32, -1.5644495520257596e-18, 4.1910794135416465]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.80939951e-12  3.80939951e-12  3.80939951e-12 -5.88876349e-28
 -1.55330371e-35  2.76280430e-51]
energy per atom =  -7.700119475932841
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0