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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:38:28      -55.585017        35.198745
BFGS:    1 15:38:28      -59.985077        23.891446
BFGS:    2 15:38:28      -62.866829        14.875056
BFGS:    3 15:38:28      -64.540450         7.718484
BFGS:    4 15:38:28      -65.257760         2.071810
BFGS:    5 15:38:28      -65.322869         0.320590
BFGS:    6 15:38:28      -65.324565         0.016839
BFGS:    7 15:38:28      -65.324569         0.000148
BFGS:    8 15:38:28      -65.324569         0.000000
BFGS:    9 15:38:28      -65.324569         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6942633627221688e-14 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([[4.015757800046531, 3.70255011060624e-33, 8.054359673519113e-33], [3.9819007216499084e-33, 4.015757800046531, -5.863791959004872e-20], [-7.930468416599277e-33, -5.863791959004425e-20, 4.015757800046531]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.69426336e-14 -1.69426336e-14 -1.69426336e-14 -3.18569860e-33
  6.36948311e-35  1.49141529e-52]
energy per atom =  -16.331142339900005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0