element(s):
['Ru']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7171', '1.5779692']
model name:
EAM_Dynamo_FortiniMendelevBuldyrev_2008_Ru__MO_114077951467_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ru']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7171, 0, 0], [-1.35855, 2.3530776246227, 0], [0, 0, 4.2875]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:59:37      -13.727199         0.170326
BFGS:    1 12:59:37      -13.727971         0.143746
BFGS:    2 12:59:37      -13.726524         0.367187
BFGS:    3 12:59:37      -13.728859         0.073404
BFGS:    4 12:59:37      -13.729040         0.031806
BFGS:    5 12:59:37      -13.729074         0.006654
BFGS:    6 12:59:37      -13.729075         0.001690
BFGS:    7 12:59:37      -13.729075         0.001284
BFGS:    8 12:59:37      -13.729075         0.000070
BFGS:    9 12:59:37      -13.729075         0.000008
BFGS:   10 12:59:38      -13.729075         0.000000
BFGS:   11 12:59:38      -13.729075         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.046674891883712e-32 eV/Angstrom
Maximum stress component: 4.474702004355233e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ru', 'Ru']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7045502846920275, -4.156288152209759e-18, -1.8721938003646157e-36], [-1.3522751423460138, 2.342209252355732, -1.997308363501665e-36], [2.9177314801470825e-38, -1.7208578568617524e-36, 4.287706395028599]])
forces =  [[ 1.66680780e-32  9.62331933e-33  7.04667489e-32]
 [-2.77801300e-32  9.62331933e-33 -7.04667489e-32]]
stress =  [-7.20014275e-12 -7.20014275e-12  4.47470200e-11  8.18235785e-34
 -1.41722595e-33  2.97582894e-27]
energy per atom =  -6.8645377237564
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0