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_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000
==== 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 18:13:34      -17.792248        0.3883
BFGS:    1 18:13:34      -17.797039        0.1869
BFGS:    2 18:13:34      -17.798444        0.0113
BFGS:    3 18:13:34      -17.798448        0.0017
BFGS:    4 18:13:34      -17.798449        0.0000
BFGS:    5 18:13:34      -17.798449        0.0000
BFGS:    6 18:13:34      -17.798449        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.396443322156877e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.187376623890292, -2.576724030339767e-33, 3.0945772106449083e-33], [-1.8946730910285838e-36, 3.1873766238902914, -2.0981822848938675e-19], [4.477243031739568e-33, -2.0981822848938042e-19, 3.187376623890292]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.39644332e-14  2.39644332e-14  2.39644332e-14  5.36014144e-30
  5.05524783e-35 -7.44585414e-52]
energy per atom =  -8.899224292331642
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0