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:
MEAM_LAMMPS_LeeBaskesKim_2001_Ta__MO_644143102837_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 18:10:39      -16.132600        0.9805
BFGS:    1 18:10:39      -16.165124        0.5623
BFGS:    2 18:10:39      -16.179892        0.0493
BFGS:    3 18:10:39      -16.180000        0.0022
BFGS:    4 18:10:39      -16.180000        0.0000
BFGS:    5 18:10:39      -16.180000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.996076438691754e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.302443546729721, 1.5546793703637634e-33, -1.231467552091824e-33], [1.2823328372018759e-33, 3.302443546729721, -3.5368192785445746e-21], [-2.49811244323909e-33, -3.536819278543798e-21, 3.302443546729721]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.99607644e-11 -6.99607644e-11 -6.99607644e-11  2.86763022e-27
  2.35455271e-35  2.44755731e-51]
energy per atom =  -8.089999977801487
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0