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:
Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_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 16:24:11      -16.154905         0.964772
BFGS:    1 16:24:11      -16.186202         0.544700
BFGS:    2 16:24:11      -16.199928         0.040542
BFGS:    3 16:24:11      -16.200000         0.001533
BFGS:    4 16:24:11      -16.200000         0.000004
BFGS:    5 16:24:11      -16.200000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3315599066429058e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.303999921256684, 1.5699366079276788e-32, 2.8113746406217354e-34], [4.07257804489685e-32, 3.303999921256684, 1.5673649878464116e-21], [1.8844756616481734e-33, 1.5673649878450516e-21, 3.303999921256684]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.33155991e-11 -2.33155991e-11 -2.33155991e-11  2.29941166e-28
  2.34210895e-59  7.01842787e-59]
energy per atom =  -8.100000001522226
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0