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 15:22:48       -0.510791         0.167775
BFGS:    1 15:22:48       -0.511997         0.167818
BFGS:    2 15:22:48       -0.537189         0.167951
BFGS:    3 15:22:48       -0.562183         0.164739
BFGS:    4 15:22:48       -0.586420         0.157705
BFGS:    5 15:22:48       -0.609245         0.145680
BFGS:    6 15:22:48       -0.629866         0.127720
BFGS:    7 15:22:48       -0.647132         0.100917
BFGS:    8 15:22:48       -0.659605         0.063373
BFGS:    9 15:22:48       -0.665664         0.013740
BFGS:   10 15:22:48       -0.665885         0.003352
BFGS:   11 15:22:48       -0.665898         0.000110
BFGS:   12 15:22:48       -0.665898         0.000001
BFGS:   13 15:22:48       -0.665898         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3421107642738894e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Xe', 'Xe', 'Xe', 'Xe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.45472169e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.01878781e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[6.143842994758425, 1.2851787580335804e-32, -9.168688177268391e-33], [-4.591802085864027e-32, 6.143842994758425, -5.375946554528993e-19], [6.499228410868179e-33, -5.375946554529026e-19, 6.143842994758425]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.34211076e-12 -3.34211076e-12 -3.34211076e-12  1.18848252e-28
  3.82667458e-36 -1.04709639e-52]
energy per atom =  -0.16647451530581492
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0