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 18:10:56      -23.675927        0.7819
BFGS:    1 18:10:56      -23.695842        0.4060
BFGS:    2 18:10:56      -23.703141        0.0028
BFGS:    3 18:10:56      -23.703141        0.0000
BFGS:    4 18:10:56      -23.703141        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.559507651496605e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.31626378716314, 2.486191234506261e-33, -7.723520784311857e-36], [2.914549522378524e-33, 3.31626378716314, -3.1349569976155347e-21], [-5.181834909776207e-33, -3.1349569976105382e-21, 3.31626378716314]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.55950765e-13 -5.55950765e-13 -5.55950765e-13 -4.64398812e-29
  1.28423285e-34  5.10211424e-51]
energy per atom =  -3.4771805395501687
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0