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 15:14:09       -0.234702         0.166614
BFGS:    1 15:14:09       -0.235781         0.166895
BFGS:    2 15:14:09       -0.258265         0.168909
BFGS:    3 15:14:09       -0.279263         0.159777
BFGS:    4 15:14:09       -0.296309         0.135475
BFGS:    5 15:14:09       -0.305948         0.077278
BFGS:    6 15:14:10       -0.306465         0.044466
BFGS:    7 15:14:10       -0.306638         0.051231
BFGS:    8 15:14:10       -0.306720         0.051877
BFGS:    9 15:14:10       -0.307509         0.044656
BFGS:   10 15:14:10       -0.307998         0.025355
BFGS:   11 15:14:10       -0.308179         0.006228
BFGS:   12 15:14:10       -0.308198         0.002039
BFGS:   13 15:14:10       -0.308200         0.000126
BFGS:   14 15:14:10       -0.308200         0.000006
BFGS:   15 15:14:10       -0.308200         0.000000
Minimization converged after 15 steps.
Maximum force component: 7.314972850580787e-33 eV/Angstrom
Maximum stress component: 1.186003598672579e-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([[4.3586904431350755, 9.904546292213297e-17, -4.943558304479239e-37], [-2.1793452215675377, 3.774736650987427, -4.623349532150679e-37], [-1.6018611826332628e-36, -6.549434967327334e-36, 7.121533228563408]])
forces =  [[-4.19726622e-34  2.42329278e-34 -7.31497285e-33]
 [-4.19726622e-34  2.42329278e-34  7.31497285e-33]]
stress =  [-1.18600360e-10 -1.18600360e-10 -9.41736797e-11 -9.55254428e-36
 -1.65454920e-35 -3.48017329e-27]
energy per atom =  -0.15410003745065232
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0