@mat3ra/esse 2026.7.13-0 → 2026.7.14-0

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.
Files changed (14) hide show
  1. package/dist/js/example/properties_directory/scalar/interfacial_energy.json +5 -0
  2. package/dist/js/schema/properties_directory/enum_options.json +1 -0
  3. package/dist/js/schema/properties_directory/scalar/interfacial_energy.json +43 -0
  4. package/dist/js/schema/property/holder.json +42 -0
  5. package/dist/js/schemas.json +1 -1
  6. package/dist/js/types.d.ts +11 -1
  7. package/dist/mat3ra_esse-2026.6.30.post0-py3-none-any.whl +0 -0
  8. package/dist/mat3ra_esse-2026.6.30.post0.tar.gz +0 -0
  9. package/example/properties_directory/scalar/interfacial_energy.json +5 -0
  10. package/manifest/properties.yaml +6 -0
  11. package/package.json +1 -1
  12. package/schema/properties_directory/enum_options.json +1 -0
  13. package/schema/properties_directory/scalar/interfacial_energy.json +21 -0
  14. package/schema/property/holder.json +3 -0
package/dist/js/example/properties_directory/scalar/interfacial_energy.json ADDED
@@ -0,0 +1,5 @@
1
+ {
2
+ "name": "interfacial_energy",
3
+ "units": "eV/A^2",
4
+ "value": 0.02
5
+ }
package/dist/js/schema/properties_directory/enum_options.json CHANGED
@@ -30,6 +30,7 @@
30
30
  "pressure",
31
31
  "reaction_energy_barrier",
32
32
  "surface_energy",
33
+ "interfacial_energy",
33
34
  "thermal_correction_to_energy",
34
35
  "thermal_correction_to_enthalpy",
35
36
  "total_energy",
package/dist/js/schema/properties_directory/scalar/interfacial_energy.json ADDED
@@ -0,0 +1,43 @@
1
+ {
2
+ "$id": "properties-directory/scalar/interfacial-energy",
3
+ "$schema": "http://json-schema.org/draft-07/schema#",
4
+ "title": "Interfacial energy property schema",
5
+ "type": "object",
6
+ "required": [
7
+ "name",
8
+ "units",
9
+ "value"
10
+ ],
11
+ "properties": {
12
+ "name": {
13
+ "enum": [
14
+ "interfacial_energy"
15
+ ],
16
+ "type": "string"
17
+ },
18
+ "units": {
19
+ "oneOf": [
20
+ {
21
+ "enum": [
22
+ "kcal/mol",
23
+ "kJ/mol",
24
+ "eV",
25
+ "J/mol",
26
+ "hartree",
27
+ "cm-1",
28
+ "Ry",
29
+ "eV/atom"
30
+ ]
31
+ },
32
+ {
33
+ "enum": [
34
+ "eV/A^2"
35
+ ]
36
+ }
37
+ ]
38
+ },
39
+ "value": {
40
+ "type": "number"
41
+ }
42
+ }
43
+ }
package/dist/js/schema/property/holder.json CHANGED
@@ -213,6 +213,48 @@
213
213
  }
214
214
  }
215
215
  },
216
+ {
217
+ "$schema": "http://json-schema.org/draft-07/schema#",
218
+ "title": "Interfacial energy property schema",
219
+ "type": "object",
220
+ "required": [
221
+ "name",
222
+ "units",
223
+ "value"
224
+ ],
225
+ "properties": {
226
+ "name": {
227
+ "enum": [
228
+ "interfacial_energy"
229
+ ],
230
+ "type": "string"
231
+ },
232
+ "units": {
233
+ "oneOf": [
234
+ {
235
+ "enum": [
236
+ "kcal/mol",
237
+ "kJ/mol",
238
+ "eV",
239
+ "J/mol",
240
+ "hartree",
241
+ "cm-1",
242
+ "Ry",
243
+ "eV/atom"
244
+ ]
245
+ },
246
+ {
247
+ "enum": [
248
+ "eV/A^2"
249
+ ]
250
+ }
251
+ ]
252
+ },
253
+ "value": {
254
+ "type": "number"
255
+ }
256
+ }
257
+ },
216
258
  {
217
259
  "$schema": "http://json-schema.org/draft-07/schema#",
218
260
  "title": "Thermal correction to energy property schema",