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 17:23:59       -0.045874        0.0238
BFGS:    1 17:23:59       -0.045898        0.0238
BFGS:    2 17:23:59       -0.049626        0.0259
BFGS:    3 17:23:59       -0.053688        0.0283
BFGS:    4 17:23:59       -0.058118        0.0308
BFGS:    5 17:23:59       -0.062954        0.0337
BFGS:    6 17:23:59       -0.068237        0.0368
BFGS:    7 17:23:59       -0.074013        0.0403
BFGS:    8 17:23:59       -0.080398        0.0447
BFGS:    9 17:23:59       -0.087423        0.0490
BFGS:   10 17:23:59       -0.095124        0.0537
BFGS:   11 17:23:59       -0.103573        0.0590
BFGS:   12 17:23:59       -0.112848        0.0648
BFGS:   13 17:23:59       -0.123039        0.0712
BFGS:   14 17:23:59       -0.134250        0.0785
BFGS:   15 17:23:59       -0.146608        0.0864
BFGS:   16 17:23:59       -0.160208        0.0951
BFGS:   17 17:23:59       -0.175179        0.1047
BFGS:   18 17:23:59       -0.191662        0.1153
BFGS:   19 17:23:59       -0.209872        0.1284
BFGS:   20 17:23:59       -0.230086        0.1413
BFGS:   21 17:23:59       -0.252330        0.1555
BFGS:   22 17:24:00       -0.276787        0.1708
BFGS:   23 17:24:00       -0.303649        0.1876
BFGS:   24 17:24:00       -0.333110        0.2054
BFGS:   25 17:24:00       -0.365308        0.2241
BFGS:   26 17:24:00       -0.400369        0.2435
BFGS:   27 17:24:00       -0.438530        0.2643
BFGS:   28 17:24:00       -0.479611        0.2832
BFGS:   29 17:24:00       -0.523409        0.3010
BFGS:   30 17:24:00       -0.569596        0.3140
BFGS:   31 17:24:00       -0.617256        0.3200
BFGS:   32 17:24:00       -0.665141        0.3158
BFGS:   33 17:24:00       -0.711081        0.2931
BFGS:   34 17:24:00       -0.751815        0.2445
BFGS:   35 17:24:00       -0.782343        0.1544
BFGS:   36 17:24:00       -0.795442        0.0070
BFGS:   37 17:24:00       -0.795460        0.0021
BFGS:   38 17:24:00       -0.795462        0.0000
BFGS:   39 17:24:00       -0.795462        0.0000
BFGS:   40 17:24:00       -0.795462        0.0000
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