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 17:17:24      -17.754357         1.311943
BFGS:    1 17:17:24      -17.797785         0.269263
BFGS:    2 17:17:24      -17.799965         0.033139
BFGS:    3 17:17:24      -17.800000         0.000952
BFGS:    4 17:17:24      -17.800000         0.000002
BFGS:    5 17:17:24      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1786910017857518e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1651999675201608, 2.3836976526853866e-34, 1.805830811344812e-34], [-8.966685658658859e-34, 3.1651999675201603, -2.277259101405229e-20], [8.684683128035074e-35, -2.2772591014052643e-20, 3.1651999675201608]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.17869100e-11 -1.17869100e-11 -1.17869100e-11 -9.23783809e-28
  9.98631486e-49 -3.20726400e-61]
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