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_1958LowCutoff_Xe__MO_648694198005_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 16:23:07       -0.474793         0.156652
BFGS:    1 16:23:07       -0.475845         0.156649
BFGS:    2 16:23:07       -0.499860         0.160423
BFGS:    3 16:23:07       -0.523674         0.156519
BFGS:    4 16:23:07       -0.546622         0.148721
BFGS:    5 16:23:07       -0.568037         0.135852
BFGS:    6 16:23:08       -0.587050         0.116419
BFGS:    7 16:23:08       -0.602540         0.088528
BFGS:    8 16:23:08       -0.613066         0.049776
BFGS:    9 16:23:08       -0.617009         0.000988
BFGS:   10 16:23:08       -0.617010         0.000189
BFGS:   11 16:23:08       -0.617011         0.000000
BFGS:   12 16:23:08       -0.617011         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1597620254975243e-12 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 9.99716329e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.99943266e-33]]
cellpar =  Cell([[6.1647245729599724, 1.36203680983875e-32, 1.761194951788898e-32], [-8.667869151785104e-33, 6.1647245729599724, 8.074397736305039e-17], [-1.3253636987987577e-32, 8.074397736305041e-17, 6.1647245729599724]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.15976203e-12 -3.15976203e-12 -3.15976203e-12 -1.03524239e-27
 -2.11155252e-37 -4.13812027e-53]
energy per atom =  -0.1542526325467951
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0