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 17:03:05      -13.821752         1.099113
BFGS:    1 17:03:05      -13.855536         0.328825
BFGS:    2 17:03:05      -13.858738         0.011840
BFGS:    3 17:03:05      -13.858742         0.000095
BFGS:    4 17:03:05      -13.858742         0.000000
BFGS:    5 17:03:05      -13.858742         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.387190259392242e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1474145145595958, -3.262014462672449e-34, -1.9852770507844556e-33], [-3.100187013082687e-33, 3.1474145145595953, -1.4566774542212446e-22], [-9.303351283800592e-34, -1.456677454203083e-22, 3.1474145145595958]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.38719026e-16  7.38719026e-16  7.38719026e-16  1.76033107e-31
 -5.18443378e-35 -7.21204459e-51]
energy per atom =  -6.897209072259002
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0