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_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:11:34       -0.022596        0.0241
BFGS:    1 15:11:34       -0.022620        0.0241
BFGS:    2 15:11:34       -0.026372        0.0286
BFGS:    3 15:11:34       -0.030816        0.0340
BFGS:    4 15:11:34       -0.036100        0.0409
BFGS:    5 15:11:34       -0.042448        0.0489
BFGS:    6 15:11:34       -0.050041        0.0586
BFGS:    7 15:11:34       -0.059153        0.0708
BFGS:    8 15:11:34       -0.070183        0.0856
BFGS:    9 15:11:34       -0.083481        0.1033
BFGS:   10 15:11:34       -0.099594        0.1261
BFGS:   11 15:11:34       -0.119156        0.1519
BFGS:   12 15:11:34       -0.142692        0.1821
BFGS:   13 15:11:34       -0.170874        0.2161
BFGS:   14 15:11:34       -0.204260        0.2524
BFGS:   15 15:11:34       -0.243017        0.2850
BFGS:   16 15:11:34       -0.286316        0.3196
BFGS:   17 15:11:34       -0.330874        0.3506
BFGS:   18 15:11:34       -0.368349        0.3459
BFGS:   19 15:11:34       -0.379854        0.2569
BFGS:   20 15:11:34       -0.382627        0.2828
BFGS:   21 15:11:34       -0.384840        0.2681
BFGS:   22 15:11:34       -0.395673        0.1087
BFGS:   23 15:11:34       -0.397414        0.0658
BFGS:   24 15:11:34       -0.397823        0.0069
BFGS:   25 15:11:34       -0.397834        0.0015
BFGS:   26 15:11:34       -0.397834        0.0000
BFGS:   27 15:11:34       -0.397834        0.0000
BFGS:   28 15:11:34       -0.397834        0.0000
BFGS:   29 15:11:34       -0.397834        0.0000
Minimization converged after 29 steps.
Maximum force component: 4.895011711951435e-33 eV/Angstrom
Maximum stress component: 6.130328105636485e-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([[2.723180778691781, -1.8125604672003018e-16, -1.4612415702616188e-35], [-1.3615903893458905, 2.3583437334445714, -3.272722236165062e-35], [-2.136973747173014e-35, -3.852020581420469e-35, 4.447024297669349]])
forces =  [[ 4.89501171e-33 -3.63360385e-33  5.70977151e-34]
 [-4.89501171e-33  3.63360385e-33 -5.70977151e-34]]
stress =  [ 6.13032811e-12  6.13032811e-12 -4.18149317e-12 -7.34554240e-35
  4.24095088e-35 -8.42420544e-29]
energy per atom =  -0.1989171732993456
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0