"description":"unique geometry ids and related statistics",
"kindStr":"type_section",
"name":"section_stats_per_geometry",
"superNames":[
"section_stats_per_composition"
]
},{
"description":"statistics per meta info",
"kindStr":"type_section",
"name":"section_stats_per_meta_info",
"superNames":[
"section_stats"
]
},{
"description":"statistics per parser",
"kindStr":"type_section",
"name":"section_stats_per_parser",
"superNames":[
"section_stats"
]
},{
"description":"statistics on the calculation data either of a calculation or a group of calculations. All the values here should be collectable by merging various section_stats, to build a common section_stats. Reference to the single entries should normally be avoided. Try to keep the size of this limited, the goal should be that one could cache this in memory.",
"kindStr":"type_section",
"name":"section_stats",
"superNames":[]
},{
"description":"atom number of an atom present in the calculations, 0 is an undefined atom X",
"dtypeStr":"i",
"name":"stats_per_atom_atom_number",
"shape":[],
"superNames":[
"section_stats_per_atom"
]
},{
"description":"Chemical formula of the composition using chemical atom names in alphabetic order and the amount in the simulation cell if not 1.",
"description":"geometry id, a checksum calculated using cell, atom position, and labels. This finds geometries that are trivially equivalent, geometries that are effectively equivalent might still have different ids.",
"dtypeStr":"i64",
"name":"stats_per_geometry_geometry_id",
"shape":[],
"superNames":[
"section_stats_per_geometry"
]
},{
"description":"number of section_single_configuration_calculation that have the current geometry",