element(s):
['Ru']
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:
['3.8047']
model name:
EAM_Dynamo_FortiniMendelevBuldyrev_2008_Ru__MO_114077951467_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ru']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.8047, 0, 0], [0, 3.8047, 0], [0, 0, 3.8047]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:15:36      -26.797059        0.3840
BFGS:    1 17:15:36      -26.803646        0.4170
BFGS:    2 17:15:36      -26.849090        0.0857
BFGS:    3 17:15:36      -26.848714        0.1093
BFGS:    4 17:15:36      -26.849543        0.0045
BFGS:    5 17:15:36      -26.849545        0.0001
BFGS:    6 17:15:36      -26.849545        0.0000
BFGS:    7 17:15:36      -26.849545        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.688355642356317e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ru', 'Ru', 'Ru', 'Ru']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.854105628356562, 1.1726567847493174e-32, -1.7325750066465598e-32], [3.197854784288967e-33, 3.854105628356562, 4.650028781813088e-19], [-3.81058923380765e-34, 4.650028781812981e-19, 3.854105628356562]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.68835564e-11 -6.68835564e-11 -6.68835564e-11 -8.91489277e-27
 -8.64374608e-36  2.58711120e-52]
energy per atom =  -6.712386171552179
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0