element(s):
['Xe']
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:
['4.7871', '1.7078398']
model name:
LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Xe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.7871, 0, 0], [-2.39355, 4.1457502104565, 0], [0, 0, 8.1756]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:11:23       -0.252150        0.1749
BFGS:    1 15:11:23       -0.253340        0.1753
BFGS:    2 15:11:23       -0.277095        0.1789
BFGS:    3 15:11:23       -0.299634        0.1722
BFGS:    4 15:11:23       -0.318551        0.1472
BFGS:    5 15:11:23       -0.330027        0.0913
BFGS:    6 15:11:23       -0.330992        0.0576
BFGS:    7 15:11:23       -0.331392        0.0555
BFGS:    8 15:11:23       -0.331466        0.0539
BFGS:    9 15:11:23       -0.332997        0.0088
BFGS:   10 15:11:23       -0.333038        0.0017
BFGS:   11 15:11:23       -0.333040        0.0001
BFGS:   12 15:11:23       -0.333040        0.0000
BFGS:   13 15:11:23       -0.333040        0.0000
BFGS:   14 15:11:23       -0.333040        0.0000
Minimization converged after 14 steps.
Maximum force component: 4.183916848781242e-34 eV/Angstrom
Maximum stress component: 3.667268175996638e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Xe', 'Xe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[4.344827662059556, 5.0314877554236364e-17, -1.1325316230398945e-36], [-2.172413831029778, 3.762731130408926, -1.930835499658567e-36], [-2.884241214330138e-36, -1.819595444106695e-36, 7.095215394291259]])
forces =  [[-4.18391685e-34  2.41558552e-34 -2.27748130e-34]
 [ 4.18391685e-34 -2.41558552e-34  2.27748130e-34]]
stress =  [ 3.66726818e-12  3.66726818e-12  1.63294853e-12  1.92371374e-35
  5.59343325e-48 -7.30630260e-28]
energy per atom =  -0.16651994347494953
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0