I am using the “get_nn_info” function of “BrunnerNN_real” class:
struct = structure of Silicon(mp-149) using MPRester
Code–> BrunnerNN_real.get_nn_info(struct,1)
I am not able to understand the output, specifically of ‘site’.
Can anyone help me in the above ?
Thanks in advance.
------**OUTPUT**------------------------------------------------------------
*[{'image': (0, 0, 0),*
* 'site': PeriodicSite: Si (0.0000, 0.0000, 0.0000) [0.0000, 0.0000, 0.0000],*
* 'site_index': 0,*
* 'weight': 1.0},*
* {'image': (0, 0, 1),*
* 'site': PeriodicSite: Si (0.0000, 0.0000, 3.8676) [0.0000, 0.0000, 1.0000],*
* 'site_index': 0,*
* 'weight': 1.0},*
* {'image': (1, 0, 0),*
* 'site': PeriodicSite: Si (3.3494, 0.0000, 1.9338) [1.0000, 0.0000, 0.0000],*
* 'site_index': 0,*
* 'weight': 0.9999999995270631},*
* {'image': (0, 1, 0),*
* 'site': PeriodicSite: Si (1.1165, 3.1578, 1.9338) [0.0000, 1.0000, 0.0000],*
* 'site_index': 0,*
* 'weight': 0.9999999992707674}]*
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