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 17:46:56       75.737976      372.6775
BFGS:    1 17:46:56       30.067731      244.5703
BFGS:    2 17:46:56        0.337560      157.4245
BFGS:    3 17:46:56      -18.559034       98.3689
BFGS:    4 17:46:56      -30.106385       58.2052
BFGS:    5 17:46:56      -36.673815       31.1358
BFGS:    6 17:46:56      -39.894323       13.0370
BFGS:    7 17:46:56      -40.794083        4.0547
BFGS:    8 17:46:56      -40.910299        0.7884
BFGS:    9 17:46:56      -40.915313        0.0676
BFGS:   10 17:46:56      -40.915351        0.0013
BFGS:   11 17:46:56      -40.915351        0.0000
BFGS:   12 17:46:56      -40.915351        0.0000
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