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 09:57:25      -28.298470         0.814616
BFGS:    1 09:57:25      -28.342124         0.875043
BFGS:    2 09:57:25      -28.536967         1.215743
BFGS:    3 09:57:25      -28.708716         1.656770
BFGS:    4 09:57:25      -28.772857         1.868361
BFGS:    5 09:57:25      -28.778259         1.835122
BFGS:    6 09:57:25      -28.818413         1.441085
BFGS:    7 09:57:25      -28.844767         1.152167
BFGS:    8 09:57:25      -28.898184         1.160984
BFGS:    9 09:57:25      -28.942795         1.223579
BFGS:   10 09:57:25      -28.987819         0.830410
BFGS:   11 09:57:25      -29.000648         0.340231
BFGS:   12 09:57:25      -29.003914         0.003316
BFGS:   13 09:57:25      -29.003915         0.000240
BFGS:   14 09:57:25      -29.003915         0.000004
BFGS:   15 09:57:25      -29.003915         0.000000
BFGS:   16 09:57:25      -29.003915         0.000000
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