@mat3ra/esse 2026.3.7-0 → 2026.3.25-0

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Files changed (12) hide show
  1. package/dist/js/schema/properties_directory/enum_options.json +2 -0
  2. package/dist/js/schema/properties_directory/scalar/homo_energy.json +42 -0
  3. package/dist/js/schema/properties_directory/scalar/lumo_energy.json +42 -0
  4. package/dist/js/schema/property/holder.json +82 -0
  5. package/dist/js/schemas.json +1 -1
  6. package/dist/js/types.d.ts +21 -1
  7. package/manifest/properties.yaml +12 -0
  8. package/package.json +1 -1
  9. package/schema/properties_directory/enum_options.json +2 -0
  10. package/schema/properties_directory/scalar/homo_energy.json +21 -0
  11. package/schema/properties_directory/scalar/lumo_energy.json +21 -0
  12. package/schema/property/holder.json +6 -0
package/dist/js/schema/properties_directory/enum_options.json CHANGED
@@ -22,7 +22,9 @@
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  "type": "string",
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  "enum": [
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  "fermi_energy",
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+ "homo_energy",
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  "ionization_potential",
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+ "lumo_energy",
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  "pressure",
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  "reaction_energy_barrier",
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  "surface_energy",
package/dist/js/schema/properties_directory/scalar/homo_energy.json ADDED
@@ -0,0 +1,42 @@
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+ {
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+ "$id": "properties-directory/scalar/homo-energy",
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "HOMO energy property schema",
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+ "type": "object",
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+ "required": [
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+ "name",
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+ "units",
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+ "value"
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+ ],
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+ "properties": {
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+ "name": {
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+ "enum": [
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+ "homo_energy"
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+ ],
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+ "type": "string"
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+ },
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+ "units": {
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+ "oneOf": [
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+ {
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+ "enum": [
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+ "kJ/mol",
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+ "eV",
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+ "J/mol",
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+ "hartree",
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+ "cm-1",
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+ "Ry",
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+ "eV/atom"
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+ ]
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+ },
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+ {
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+ "enum": [
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+ "eV/A^2"
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+ ]
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+ }
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+ ]
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+ },
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+ "value": {
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+ "type": "number"
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+ }
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+ }
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+ }
package/dist/js/schema/properties_directory/scalar/lumo_energy.json ADDED
@@ -0,0 +1,42 @@
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+ {
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+ "$id": "properties-directory/scalar/lumo-energy",
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "LUMO energy property schema",
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+ "type": "object",
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+ "required": [
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+ "name",
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+ "units",
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+ "value"
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+ ],
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+ "properties": {
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+ "name": {
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+ "enum": [
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+ "lumo_energy"
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+ ],
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+ "type": "string"
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+ },
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+ "units": {
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+ "oneOf": [
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+ {
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+ "enum": [
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+ "kJ/mol",
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+ "eV",
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+ "J/mol",
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+ "hartree",
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+ "cm-1",
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+ "Ry",
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+ "eV/atom"
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+ ]
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+ },
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+ {
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+ "enum": [
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+ "eV/A^2"
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+ ]
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+ }
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+ ]
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+ },
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+ "value": {
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+ "type": "number"
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+ }
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+ }
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+ }
package/dist/js/schema/property/holder.json CHANGED
@@ -321,6 +321,47 @@
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  }
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  }
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  },
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+ {
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "HOMO energy property schema",
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+ "type": "object",
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+ "required": [
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+ "name",
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+ "units",
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+ "value"
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+ ],
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+ "properties": {
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+ "name": {
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+ "enum": [
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+ "homo_energy"
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+ ],
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+ "type": "string"
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+ },
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+ "units": {
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+ "oneOf": [
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+ {
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+ "enum": [
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+ "kJ/mol",
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+ "eV",
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+ "J/mol",
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+ "hartree",
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+ "cm-1",
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+ "Ry",
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+ "eV/atom"
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+ ]
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+ },
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+ {
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+ "enum": [
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+ "eV/A^2"
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+ ]
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+ }
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+ ]
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+ },
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+ "value": {
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+ "type": "number"
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+ }
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+ }
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+ },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Ionization potential scalar property schema",
@@ -362,6 +403,47 @@
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  }
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  }
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  },
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+ {
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "LUMO energy property schema",
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+ "type": "object",
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+ "required": [
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+ "name",
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+ "units",
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+ "value"
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+ ],
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+ "properties": {
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+ "name": {
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+ "enum": [
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+ "lumo_energy"
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+ ],
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+ "type": "string"
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+ },
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+ "units": {
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+ "oneOf": [
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+ {
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+ "enum": [
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+ "kJ/mol",
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+ "eV",
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+ "J/mol",
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+ "hartree",
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+ "cm-1",
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+ "Ry",
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+ "eV/atom"
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+ ]
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+ },
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+ {
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+ "enum": [
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+ "eV/A^2"
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+ ]
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+ }
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+ ]
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+ },
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+ "value": {
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+ "type": "number"
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+ }
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+ }
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+ },
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  {
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  "$schema": "http://json-schema.org/draft-07/schema#",
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  "title": "Stress tensor property schema",