element(s):
['Ta']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2656']
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 =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:51      -31.600995         2.615758
BFGS:    1 15:32:51      -31.814896         1.224213
BFGS:    2 15:32:51      -31.881555         0.179962
BFGS:    3 15:32:51      -31.883367         0.035034
BFGS:    4 15:32:51      -31.883442         0.001528
BFGS:    5 15:32:51      -31.883442         0.000014
BFGS:    6 15:32:51      -31.883442         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.023330533290836e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.183124099996519, -5.896272125622624e-33, -7.210251944040605e-33], [-5.896325006273838e-33, 4.183124099996519, 1.1545624709402015e-19], [-1.5387933442186846e-32, 1.154562470940388e-19, 4.183124099996519]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.02333053e-10  3.02333053e-10  3.02333053e-10 -5.61761353e-26
 -6.87890014e-36  8.33633835e-52]
energy per atom =  -7.97086061533061
===============================================
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
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73