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_Hybrid_DuanXieGuo_2019_TaHe__SM_016305073020_001
==== 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 16:12:30      -16.133117         0.971793
BFGS:    1 16:12:30      -16.165124         0.560273
BFGS:    2 16:12:30      -16.179897         0.048839
BFGS:    3 16:12:30      -16.180003         0.002155
BFGS:    4 16:12:30      -16.180003         0.000008
BFGS:    5 16:12:30      -16.180003         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.848020736886638e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.302538070265094, -1.225228843263001e-33, 4.2543650476860555e-33], [4.3304602104402616e-35, 3.302538070265094, -8.373923741140481e-21], [7.452752684581492e-34, -8.373923741140424e-21, 3.302538070265094]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.84802074e-11 -6.84802074e-11 -6.84802074e-11  3.01832462e-27
  1.76581345e-35 -3.74627589e-52]
energy per atom =  -8.09000150607431
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0