element(s):
['Ta']
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:
['3.3551']
model name:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3551, 0, 0], [0, 3.3551, 0], [0, 0, 3.3551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:11:21        0.023431         0.708781
BFGS:    1 16:11:21        0.006725         0.389281
BFGS:    2 16:11:21       -0.000228         0.016951
BFGS:    3 16:11:21       -0.000241         0.000426
BFGS:    4 16:11:21       -0.000241         0.000000
BFGS:    5 16:11:21       -0.000241         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.20392095612809e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.318260615119978, 1.7057522835540482e-33, 2.097750143042346e-33], [-4.952180046209681e-33, 3.318260615119978, -2.9133798765128208e-21], [-2.696062620296048e-33, -2.913379876504617e-21, 3.318260615119978]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.20392096e-13 -7.20392096e-13 -7.20392096e-13 -2.72706127e-29
 -1.74911958e-35  1.13022525e-52]
energy per atom =  -8.043445038688654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0