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Suggestions from @ml-evs in PR review
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Co-authored-by: Matthew Evans <7916000+ml-evs@users.noreply.github.com>
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rartino and ml-evs authored Jul 6, 2022
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Expand Up @@ -2813,8 +2813,8 @@ Collections Entries
-------------------

Collections entries are used to define a set of Entries of any types.
For example, a collection of Structure entries can be used to indicate that they are conceptually related, such as structures representing aluminium unit cells with point defects.
The set of entries that belong to the collection is defined using relationships from the collection to each entry (OPTIMADE relationships are defined in `Relationships`_).
For example, a collection of Structure entries can be used to indicate that they are conceptually related, such as structures representing aluminium unit cells with point defects, or structures that comprise a training set for a particular interatomic potential.
The set of entries that belong to the collection is defined using one-to-many relationships from the collection to each entry (OPTIMADE relationships are defined in `Relationships`_).
A collection can contain other collections.
Furthermore, implementations are suggested to add database-specific properties for additional metadata they want to store about the collections.
An OPTIMADE response representing a collection with all referenced entries included via the JSON API field :field:`included` (or equivalent in other response formats) can be used as a universal format for storage or transfer of a subset of (or all) data in an OPTIMADE database.
Expand All @@ -2826,7 +2826,7 @@ The following example shows how relationships from a collection to other entries
{
"data": {
"type": "collections",
"id": "example.com:collections:42",
"id": "42",
"attributes": {
"name": "Results set for vacancies in FCC Al"
"category": "results_set"
Expand Down Expand Up @@ -2863,6 +2863,7 @@ name
- **Examples**:

- :val:`"Results set for vacancies in FCC Al"`
- :val:`"Training set for the 'Si-001' interatomic potential."`

description
~~~~~~~~~~~
Expand All @@ -2877,6 +2878,7 @@ description
- **Examples**:

- :val:`"This collection contains structures used in an investigation into point defects in Al"`
- :val:`"Training set of structures, forces and energies used to construct the interatomic potential 'Si-001' for silicon, with associated bibliographic references."`

category
~~~~~~~~
Expand All @@ -2892,6 +2894,7 @@ category
- **Examples**:

- :val:`"results_set"`
- :val:`"training_set"`

Calculations Entries
--------------------
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