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_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:37:28       -0.045874         0.023795
BFGS:    1 15:37:28       -0.045898         0.023808
BFGS:    2 15:37:28       -0.049626         0.025931
BFGS:    3 15:37:28       -0.053688         0.028268
BFGS:    4 15:37:28       -0.058118         0.030842
BFGS:    5 15:37:28       -0.062954         0.033679
BFGS:    6 15:37:28       -0.068237         0.036809
BFGS:    7 15:37:28       -0.074013         0.040264
BFGS:    8 15:37:28       -0.080398         0.044729
BFGS:    9 15:37:28       -0.087423         0.049012
BFGS:   10 15:37:28       -0.095124         0.053748
BFGS:   11 15:37:28       -0.103573         0.058987
BFGS:   12 15:37:28       -0.112848         0.064783
BFGS:   13 15:37:28       -0.123039         0.071195
BFGS:   14 15:37:28       -0.134250         0.078518
BFGS:   15 15:37:28       -0.146608         0.086388
BFGS:   16 15:37:28       -0.160208         0.095085
BFGS:   17 15:37:28       -0.175179         0.104686
BFGS:   18 15:37:28       -0.191662         0.115268
BFGS:   19 15:37:28       -0.209872         0.128389
BFGS:   20 15:37:28       -0.230086         0.141328
BFGS:   21 15:37:28       -0.252330         0.155466
BFGS:   22 15:37:28       -0.276787         0.170835
BFGS:   23 15:37:28       -0.303649         0.187618
BFGS:   24 15:37:28       -0.333110         0.205370
BFGS:   25 15:37:28       -0.365308         0.224090
BFGS:   26 15:37:28       -0.400369         0.243455
BFGS:   27 15:37:28       -0.438530         0.264304
BFGS:   28 15:37:28       -0.479611         0.283220
BFGS:   29 15:37:28       -0.523409         0.300974
BFGS:   30 15:37:28       -0.569596         0.313971
BFGS:   31 15:37:28       -0.617256         0.320033
BFGS:   32 15:37:28       -0.665141         0.315812
BFGS:   33 15:37:28       -0.711081         0.293104
BFGS:   34 15:37:28       -0.751815         0.244467
BFGS:   35 15:37:28       -0.782343         0.154378
BFGS:   36 15:37:28       -0.795442         0.007027
BFGS:   37 15:37:28       -0.795460         0.002096
BFGS:   38 15:37:28       -0.795462         0.000018
BFGS:   39 15:37:28       -0.795462         0.000000
BFGS:   40 15:37:29       -0.795462         0.000000
Minimization converged after 40 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.9435331347831046e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Xe', 'Xe', 'Xe', 'Xe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.80139783e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8507384995006277, -5.469577075420895e-32, -3.4395875848539514e-33], [-3.58873413876359e-32, 3.850738499500626, -6.671636250727389e-17], [4.076846076140055e-32, -6.671636250727389e-17, 3.850738499500626]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.94353313e-14 -3.94353313e-14 -3.94353313e-14 -2.94342879e-30
 -3.03060417e-35  3.20958676e-51]
energy per atom =  -0.19886538334194165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0