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 17:15:30      -55.585017       35.1987
BFGS:    1 17:15:30      -59.985077       23.8914
BFGS:    2 17:15:30      -62.866829       14.8751
BFGS:    3 17:15:31      -64.540450        7.7185
BFGS:    4 17:15:31      -65.257760        2.0718
BFGS:    5 17:15:31      -65.322869        0.3206
BFGS:    6 17:15:31      -65.324565        0.0168
BFGS:    7 17:15:31      -65.324569        0.0001
BFGS:    8 17:15:31      -65.324569        0.0000
BFGS:    9 17:15:31      -65.324569        0.0000
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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.55578573e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.015757800046531, 4.006524242654589e-33, 7.979317433513894e-33], [3.751219108992532e-33, 4.015757800046531, -6.843359677871211e-20], [-7.889358422695822e-33, -6.843359677870777e-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  4.64837077e-32
  1.08281213e-33 -4.05762481e-51]
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