element(s):
['W']
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:
['3.2041']
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 =  229
cell =  [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:13:53      -17.754357        1.3119
BFGS:    1 18:13:53      -17.797785        0.2693
BFGS:    2 18:13:53      -17.799965        0.0331
BFGS:    3 18:13:53      -17.800000        0.0010
BFGS:    4 18:13:53      -17.800000        0.0000
BFGS:    5 18:13:53      -17.800000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1784708689794631e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1651999675201616, -1.1390098510867886e-33, -4.867787445995884e-33], [2.987625128610287e-33, 3.165199967520161, 1.6342841608017894e-18], [-9.33435303562086e-33, 1.634284160801794e-18, 3.1651999675201616]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.17847087e-11 -1.17847087e-11 -1.17847087e-11  2.15846911e-27
 -5.96235459e-60  3.47850771e-60]
energy per atom =  -8.900000069477503
===============================================
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