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_1958MedCutoff_Xe__MO_849320763277_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       -0.510791        0.1678
BFGS:    1 17:23:48       -0.511997        0.1678
BFGS:    2 17:23:48       -0.537189        0.1680
BFGS:    3 17:23:48       -0.562183        0.1647
BFGS:    4 17:23:48       -0.586420        0.1577
BFGS:    5 17:23:48       -0.609245        0.1457
BFGS:    6 17:23:48       -0.629866        0.1277
BFGS:    7 17:23:48       -0.647132        0.1009
BFGS:    8 17:23:48       -0.659605        0.0634
BFGS:    9 17:23:48       -0.665664        0.0137
BFGS:   10 17:23:48       -0.665885        0.0034
BFGS:   11 17:23:48       -0.665898        0.0001
BFGS:   12 17:23:48       -0.665898        0.0000
BFGS:   13 17:23:48       -0.665898        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3421005720925975e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Xe', 'Xe', 'Xe', 'Xe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[6.143842994758426, 3.400021931188555e-32, -7.1813141322097e-33], [1.755495651734402e-32, 6.143842994758426, -4.408455947175835e-17], [-4.6363327003770115e-32, -4.408455947175832e-17, 6.143842994758426]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.34210057e-12 -3.34210057e-12 -3.34210057e-12 -6.22397648e-28
  1.06296516e-36  2.35064430e-52]
energy per atom =  -0.166474515305815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0