element(s):
['Mo']
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:
['3.1827']
model name:
EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:28      -13.821752         1.099113
BFGS:    1 16:14:28      -13.855536         0.328825
BFGS:    2 16:14:28      -13.858738         0.011840
BFGS:    3 16:14:28      -13.858742         0.000095
BFGS:    4 16:14:28      -13.858742         0.000000
BFGS:    5 16:14:28      -13.858742         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0014027044741516e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.147414514559595, 8.802223919058256e-33, -6.715883475091439e-34], [-2.6413103633891022e-33, 3.1474145145595944, -1.3269457609401346e-19], [-3.2344374968214245e-33, -1.3269457609401414e-19, 3.147414514559595]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.00140270e-15 -1.00140270e-15 -1.00140270e-15  5.82104353e-32
 -4.14754702e-34  5.89865602e-51]
energy per atom =  -6.897209072258994
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0