element(s):
['Ta']
AFLOW prototype label:
A_tP4_127_g
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3819', '0.50872368', '0.28968096']
model name:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Ta__MO_261274272789_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0.28968096 0.78968096 0.        ]]
spacegroup =  127
cell =  [[5.3819, 0, 0], [0, 5.3819, 0], [0, 0, 2.7379]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:44:42      -28.298470        0.8146
BFGS:    1 17:44:42      -28.342124        0.8750
BFGS:    2 17:44:42      -28.536967        1.2157
BFGS:    3 17:44:42      -28.708716        1.6568
BFGS:    4 17:44:42      -28.772857        1.8684
BFGS:    5 17:44:42      -28.778259        1.8351
BFGS:    6 17:44:42      -28.818413        1.4411
BFGS:    7 17:44:42      -28.844767        1.1522
BFGS:    8 17:44:42      -28.898184        1.1610
BFGS:    9 17:44:42      -28.942795        1.2236
BFGS:   10 17:44:42      -28.987819        0.8304
BFGS:   11 17:44:42      -29.000648        0.3402
BFGS:   12 17:44:42      -29.003914        0.0033
BFGS:   13 17:44:42      -29.003915        0.0002
BFGS:   14 17:44:42      -29.003915        0.0000
BFGS:   15 17:44:42      -29.003915        0.0000
BFGS:   16 17:44:42      -29.003915        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.307372244999719e-10 eV/Angstrom
Maximum stress component: 8.642440376575101e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.15094337e-01 8.15094337e-01 0.00000000e+00]
 [6.84905663e-01 1.84905663e-01 0.00000000e+00]
 [1.84905663e-01 3.15094337e-01 2.84086501e-34]
 [8.15094337e-01 6.84905663e-01 0.00000000e+00]]
cellpar =  Cell([[5.351996313064843, -5.099396152153509e-35, 9.817524376716476e-34], [-4.294276627270653e-35, 5.351996313064845, -5.774198930132156e-18], [9.010851074175093e-33, -2.769512444845026e-18, 2.711751435066026]])
forces =  [[-3.30737224e-10 -3.30737224e-10  3.56828073e-28]
 [ 3.30737224e-10  3.30737224e-10 -3.56828073e-28]
 [ 3.30737224e-10 -3.30737224e-10  3.56828072e-28]
 [-3.30737224e-10  3.30737224e-10 -3.56828072e-28]]
stress =  [-8.64244038e-11 -8.64244038e-11 -8.27700668e-11 -3.22764071e-26
  2.65402372e-35  4.43952145e-51]
energy per atom =  -7.2509787948921955
===============================================
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