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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 12:58:49      -27.105634        47.953495
BFGS:    1 12:58:49      -30.550303        25.869400
BFGS:    2 12:58:49      -32.092211        11.745017
BFGS:    3 12:58:49      -32.615219         3.624217
BFGS:    4 12:58:50      -32.667986         0.654214
BFGS:    5 12:58:50      -32.670638         0.128198
BFGS:    6 12:58:50      -32.670790         0.002582
BFGS:    7 12:58:50      -32.670790         0.000013
BFGS:    8 12:58:50      -32.670790         0.000000
BFGS:    9 12:58:51      -32.670790         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.400168840116543e-31 eV/Angstrom
Maximum stress component: 1.0131781999735054e-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([[2.839879792951359, -2.042843444122992e-17, -3.643990674568249e-36], [-1.4199398964756795, 2.4594080443899693, 1.3941770473539893e-35], [-1.197641679515281e-35, 1.1878506530530255e-34, 4.63759679168117]])
forces =  [[ 1.40016884e-31 -8.08387857e-32 -5.78029977e-67]
 [-1.40016884e-31  8.08387857e-32  5.78029977e-67]]
stress =  [-4.01811968e-12 -4.01811968e-12 -1.01317820e-11  7.20452951e-34
 -1.24786112e-33 -1.26951240e-27]
energy per atom =  -16.33539494203126
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0