element(s):
['Ce']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8113']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ce']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.8113, 0, 0], [0, 3.8113, 0], [0, 0, 3.8113]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:51:19       75.737976       372.677545
BFGS:    1 15:51:19       30.067731       244.570340
BFGS:    2 15:51:19        0.337560       157.424527
BFGS:    3 15:51:19      -18.559034        98.368936
BFGS:    4 15:51:19      -30.106385        58.205212
BFGS:    5 15:51:19      -36.673815        31.135755
BFGS:    6 15:51:19      -39.894323        13.036988
BFGS:    7 15:51:19      -40.794083         4.054658
BFGS:    8 15:51:19      -40.910299         0.788385
BFGS:    9 15:51:19      -40.915313         0.067640
BFGS:   10 15:51:19      -40.915351         0.001282
BFGS:   11 15:51:19      -40.915351         0.000002
BFGS:   12 15:51:19      -40.915351         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7663714245603623e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ce', 'Ce']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.490804644630239, 3.4665302685751366e-32, -6.403529445753759e-32], [1.7338195169781337e-32, 4.4908046446302405, -4.559692321229783e-17], [1.8124194197088125e-32, -4.559692321229784e-17, 4.490804644630239]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.76637142e-12 -1.76637142e-12 -1.76637142e-12 -2.41100577e-28
 -2.03728074e-34 -2.69424748e-50]
energy per atom =  -20.45767549148689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0