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 10:54:31       -0.022596         0.024108
BFGS:    1 10:54:31       -0.022620         0.024135
BFGS:    2 10:54:31       -0.026372         0.028583
BFGS:    3 10:54:31       -0.030816         0.033963
BFGS:    4 10:54:31       -0.036100         0.040879
BFGS:    5 10:54:31       -0.042448         0.048892
BFGS:    6 10:54:31       -0.050041         0.058650
BFGS:    7 10:54:31       -0.059153         0.070790
BFGS:    8 10:54:31       -0.070183         0.085579
BFGS:    9 10:54:32       -0.083481         0.103282
BFGS:   10 10:54:32       -0.099594         0.126098
BFGS:   11 10:54:32       -0.119156         0.151929
BFGS:   12 10:54:32       -0.142692         0.182117
BFGS:   13 10:54:32       -0.170874         0.216120
BFGS:   14 10:54:32       -0.204260         0.252367
BFGS:   15 10:54:33       -0.243017         0.284958
BFGS:   16 10:54:33       -0.286316         0.319552
BFGS:   17 10:54:33       -0.330874         0.350551
BFGS:   18 10:54:33       -0.368349         0.345919
BFGS:   19 10:54:33       -0.379854         0.256866
BFGS:   20 10:54:34       -0.382627         0.282774
BFGS:   21 10:54:34       -0.384840         0.268101
BFGS:   22 10:54:34       -0.395673         0.108710
BFGS:   23 10:54:34       -0.397414         0.065757
BFGS:   24 10:54:35       -0.397823         0.006891
BFGS:   25 10:54:35       -0.397834         0.001499
BFGS:   26 10:54:35       -0.397834         0.000022
BFGS:   27 10:54:35       -0.397834         0.000001
BFGS:   28 10:54:35       -0.397834         0.000000
BFGS:   29 10:54:36       -0.397834         0.000000
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