element(s):
['W']
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:
['4.0614']
model name:
EAM_MagneticCubic_DerletNguyenDudarev_2007_W__MO_195478838873_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['W']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.0614, 0, 0], [0, 4.0614, 0], [0, 0, 4.0614]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:22:47      -35.061012        3.3405
BFGS:    1 17:22:47      -35.360083        0.9097
BFGS:    2 17:22:47      -35.389053        0.1911
BFGS:    3 17:22:47      -35.390538        0.0186
BFGS:    4 17:22:47      -35.390553        0.0004
BFGS:    5 17:22:47      -35.390553        0.0000
BFGS:    6 17:22:47      -35.390553        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2442766994783973e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.37207122e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9894591907643906, 1.9582228955071822e-32, 2.4224546903218078e-33], [1.6607767378112936e-32, 3.9894591907643906, 1.1356555615207999e-18], [3.275470319977726e-32, 1.1356555615207716e-18, 3.9894591907643906]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.24427670e-12 3.24427670e-12 3.24427670e-12 3.17022617e-28
 1.76469329e-36 2.78254739e-52]
energy per atom =  -8.847638198448358
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74