element(s):
['Xe']
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:
['6.8524']
model name:
LJ_Shifted_Bernardes_1958HighCutoff_Xe__MO_796748253903_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Xe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[6.8524, 0, 0], [0, 6.8524, 0], [0, 0, 6.8524]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:23:48       -0.521958        0.1708
BFGS:    1 17:23:48       -0.523208        0.1708
BFGS:    2 17:23:48       -0.548856        0.1707
BFGS:    3 17:23:48       -0.574289        0.1678
BFGS:    4 17:23:48       -0.599007        0.1611
BFGS:    5 17:23:48       -0.622385        0.1495
BFGS:    6 17:23:48       -0.643551        0.1315
BFGS:    7 17:23:48       -0.661408        0.1052
BFGS:    8 17:23:48       -0.674559        0.0681
BFGS:    9 17:23:48       -0.681168        0.0174
BFGS:   10 17:23:48       -0.681524        0.0039
BFGS:   11 17:23:48       -0.681541        0.0002
BFGS:   12 17:23:48       -0.681541        0.0000
BFGS:   13 17:23:48       -0.681541        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.946767830800725e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Xe', 'Xe', 'Xe', 'Xe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.78336204e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00394358e-33]]
cellpar =  Cell([[6.138767125851388, -4.7246753763168866e-32, -8.953999282428182e-33], [4.050815239365692e-32, 6.138767125851388, 2.304577646809068e-17], [-5.835375262362005e-33, 2.3045776468090654e-17, 6.138767125851388]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.94676783e-12 -7.94676783e-12 -7.94676783e-12 -5.44666476e-27
  8.51778979e-37  4.15680604e-52]
energy per atom =  -0.17038525246067207
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0