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 18:10:56        0.023431        0.7088
BFGS:    1 18:10:56        0.006725        0.3893
BFGS:    2 18:10:56       -0.000228        0.0170
BFGS:    3 18:10:56       -0.000241        0.0004
BFGS:    4 18:10:56       -0.000241        0.0000
BFGS:    5 18:10:56       -0.000241        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.211176966910722e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3182606151199776, 2.1700749478034385e-33, 3.205796697374937e-33], [2.4769841973047408e-33, 3.3182606151199776, -2.9086541007076767e-21], [5.376287383876392e-35, -2.9086541007011756e-21, 3.3182606151199776]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.21117697e-13 -7.21117697e-13 -7.21117697e-13 -7.46659971e-29
 -6.99647831e-35 -1.40322629e-50]
energy per atom =  -8.043445038688656
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0