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:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Ta__MO_261274272789_002
==== 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 16:10:35      -16.151159         1.167769
BFGS:    1 16:10:35      -16.191392         0.461338
BFGS:    2 16:10:35      -16.199831         0.062311
BFGS:    3 16:10:35      -16.200000         0.003755
BFGS:    4 16:10:35      -16.200000         0.000027
BFGS:    5 16:10:35      -16.200000         0.000000
BFGS:    6 16:10:35      -16.200000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0664519242750462e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3057999606761554, 2.05388376313172e-32, -1.852016620839242e-33], [1.0304821268680932e-32, 3.3057999606761554, -1.2397729479474978e-19], [-1.0483134841099363e-34, -1.239772947947447e-19, 3.3057999606761554]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.06645192e-14  1.06645192e-14  1.06645192e-14 -1.40075981e-31
 -2.71723993e-64  6.12863731e-65]
energy per atom =  -8.100000059778996
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73