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_ThompsonSwilerTrott_2015_Ta__MO_359768485367_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 17:13:30      -23.675927         0.781914
BFGS:    1 17:13:30      -23.695842         0.405996
BFGS:    2 17:13:30      -23.703141         0.002834
BFGS:    3 17:13:30      -23.703141         0.000001
BFGS:    4 17:13:30      -23.703141         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.54381516752298e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.316263787163141, 1.2472889439508063e-33, 1.8308916466135345e-33], [-1.4217128278608504e-33, 3.316263787163141, -3.143984312422653e-21], [-4.7429758117000005e-33, -3.143984312417192e-21, 3.316263787163141]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.54381517e-13 -5.54381517e-13 -5.54381517e-13 -1.34527609e-28
 -4.66993764e-34 -1.11589187e-49]
energy per atom =  -3.4771805395501705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0