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 16:23:07      -35.061012         3.340457
BFGS:    1 16:23:07      -35.360083         0.909668
BFGS:    2 16:23:07      -35.389053         0.191129
BFGS:    3 16:23:07      -35.390538         0.018582
BFGS:    4 16:23:07      -35.390553         0.000428
BFGS:    5 16:23:07      -35.390553         0.000001
BFGS:    6 16:23:08      -35.390553         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2437346067017606e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.43017804e-49 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([[3.98945919076439, 1.6492602496069638e-32, -1.0107820107951595e-32], [1.660776854452238e-32, 3.98945919076439, 1.1356640227792173e-18], [1.534878635149939e-32, 1.1356640227791896e-18, 3.98945919076439]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.24373461e-12  3.24373461e-12  3.24373461e-12  1.01733644e-28
 -4.03358466e-36 -1.47867848e-52]
energy per atom =  -8.847638198448363
===============================================
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