@mat3ra/esse 2024.2.29-0 → 2024.3.14-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +91 -0
- package/lib/js/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +91 -0
- package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +79 -0
- package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +91 -0
- package/lib/js/schemas.json +1 -1
- package/package.json +2 -2
- package/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +53 -0
- package/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +16 -0
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{
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"$id": "3pse/db/nist-jarvis/2024.3.13/atoms",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "NIST J.A.R.V.I.S. db entry `atoms` key schema. Based on https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571",
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{
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"$id": "3pse/db/nist-jarvis/2024.3.13/db-entry",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "NIST J.A.R.V.I.S. db entry schema. Based on https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571",
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"type": "object",
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"additionalProperties": true,
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"properties": {
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"atoms": {
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "NIST J.A.R.V.I.S. db entry `atoms` key schema. Based on https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571",
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"description": "Atomic coordinates for each atom in the unit cell",
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|
79
|
+
"description": "Additional properties for each of the atoms",
|
|
80
|
+
"items": {
|
|
81
|
+
"type": "string"
|
|
82
|
+
}
|
|
83
|
+
}
|
|
84
|
+
}
|
|
85
|
+
},
|
|
86
|
+
"jid": {
|
|
87
|
+
"type": "string",
|
|
88
|
+
"description": "The id of the entry in the database, e.g. JVASP-677"
|
|
89
|
+
}
|
|
90
|
+
}
|
|
91
|
+
}
|