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 16:00:06       75.737976       372.677545
BFGS:    1 16:00:06       30.067731       244.570340
BFGS:    2 16:00:06        0.337560       157.424527
BFGS:    3 16:00:06      -18.559034        98.368936
BFGS:    4 16:00:06      -30.106385        58.205212
BFGS:    5 16:00:06      -36.673815        31.135755
BFGS:    6 16:00:06      -39.894323        13.036988
BFGS:    7 16:00:06      -40.794083         4.054658
BFGS:    8 16:00:06      -40.910299         0.788385
BFGS:    9 16:00:06      -40.915313         0.067640
BFGS:   10 16:00:06      -40.915351         0.001282
BFGS:   11 16:00:06      -40.915351         0.000002
BFGS:   12 16:00:07      -40.915351         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7676446752927422e-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, 2.1556929461901824e-32, -3.2688987172785333e-32], [-3.2221555469654165e-32, 4.49080464463024, -4.4117113671546524e-17], [-8.527694280168153e-32, -4.4117113671546413e-17, 4.490804644630239]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.76764468e-12 -1.76764468e-12 -1.76764468e-12  7.98371211e-28
 -1.52796055e-34  3.51967629e-50]
energy per atom =  -20.4576754914869
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0