element(s):
['Na']
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:
['4.1144']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.1144, 0, 0], [0, 4.1144, 0], [0, 0, 4.1144]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:02:47       -2.089835        1.0071
BFGS:    1 18:02:47       -2.130256        0.8672
BFGS:    2 18:02:47       -2.226960        0.4352
BFGS:    3 18:02:47       -2.264345        0.0740
BFGS:    4 18:02:47       -2.265593        0.0077
BFGS:    5 18:02:47       -2.265607        0.0002
BFGS:    6 18:02:47       -2.265607        0.0000
BFGS:    7 18:02:47       -2.265607        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.2618626004116765e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.3732796431727365, 1.596247060988114e-32, -8.979438680547588e-33], [5.641907264788602e-33, 4.3732796431727365, 6.483075619349598e-18], [-1.1549108897187292e-32, 6.483075619349589e-18, 4.3732796431727365]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.26186260e-13 -4.26186260e-13 -4.26186260e-13  3.62473942e-29
 -3.35663975e-36 -1.41035978e-52]
energy per atom =  -1.1328036766086698
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0