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_1958LowCutoff_Xe__MO_648694198005_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       -0.234702        0.1666
BFGS:    1 15:11:23       -0.235781        0.1669
BFGS:    2 15:11:23       -0.258265        0.1689
BFGS:    3 15:11:23       -0.279263        0.1598
BFGS:    4 15:11:23       -0.296309        0.1355
BFGS:    5 15:11:23       -0.305948        0.0773
BFGS:    6 15:11:23       -0.306465        0.0445
BFGS:    7 15:11:23       -0.306638        0.0512
BFGS:    8 15:11:23       -0.306720        0.0519
BFGS:    9 15:11:23       -0.307509        0.0447
BFGS:   10 15:11:23       -0.307998        0.0254
BFGS:   11 15:11:23       -0.308179        0.0062
BFGS:   12 15:11:23       -0.308198        0.0020
BFGS:   13 15:11:23       -0.308200        0.0001
BFGS:   14 15:11:23       -0.308200        0.0000
BFGS:   15 15:11:23       -0.308200        0.0000
Minimization converged after 15 steps.
Maximum force component: 7.314972850580785e-33 eV/Angstrom
Maximum stress component: 1.1860038373693012e-10 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([[4.358690443135074, 9.046968857721429e-17, -1.394193302601549e-34], [-2.179345221567537, 3.774736650987425, -2.7982659373109737e-34], [-6.326672954919235e-35, -1.1744186569219231e-34, 7.121533228563407]])
forces =  [[ 6.49852208e-68  1.20631896e-67 -7.31497285e-33]
 [-6.49852208e-68 -1.20631896e-67  7.31497285e-33]]
stress =  [-1.18600384e-10 -1.18600384e-10 -9.41736953e-11  5.97034016e-36
  2.06818650e-36  6.91074090e-26]
energy per atom =  -0.15410003745065234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0