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 15:37:17       -0.474793         0.156652
BFGS:    1 15:37:17       -0.475845         0.156649
BFGS:    2 15:37:17       -0.499860         0.160423
BFGS:    3 15:37:17       -0.523674         0.156519
BFGS:    4 15:37:17       -0.546622         0.148721
BFGS:    5 15:37:17       -0.568037         0.135852
BFGS:    6 15:37:17       -0.587050         0.116419
BFGS:    7 15:37:17       -0.602540         0.088528
BFGS:    8 15:37:17       -0.613066         0.049776
BFGS:    9 15:37:17       -0.617009         0.000988
BFGS:   10 15:37:17       -0.617010         0.000189
BFGS:   11 15:37:17       -0.617011         0.000000
BFGS:   12 15:37:17       -0.617011         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.159776145011588e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Xe', 'Xe', 'Xe', 'Xe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[6.164724572959972, 8.294280443059757e-32, -3.371369800377306e-32], [4.3424854246045835e-32, 6.164724572959972, -6.165025431698349e-17], [-2.3097348303089932e-32, -6.165025431698349e-17, 6.164724572959972]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.15977615e-12 -3.15977615e-12 -3.15977615e-12 -1.65868245e-28
 -1.05577626e-37  3.74233592e-54]
energy per atom =  -0.1542526325467952
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0