mat3ra · VsevolodX · May 30, 2026 · May 29, 2026 · May 30, 2026 · May 30, 2026
diff --git a/dist/js/esse/JSONSchemasInterface.js b/dist/js/esse/JSONSchemasInterface.js
@@ -66,5 +66,5 @@ class JSONSchemasInterface {
         return patchedSchema;
     }
 }
-exports.default = JSONSchemasInterface;
 JSONSchemasInterface.schemasCache = new Map();
+exports.default = JSONSchemasInterface;
diff --git a/dist/js/esse/JSONSchemasInterfaceServer.js b/dist/js/esse/JSONSchemasInterfaceServer.js
@@ -3,7 +3,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.readSchemaFolderSync = void 0;
+exports.readSchemaFolderSync = readSchemaFolderSync;
 const fs_1 = __importDefault(require("fs"));
 const path_1 = __importDefault(require("path"));
 const filesystem_1 = require("../utils/filesystem");
@@ -19,7 +19,6 @@ function readSchemaFolderSync(folderPath) {
     });
     return schemas;
 }
-exports.readSchemaFolderSync = readSchemaFolderSync;
 class JSONSchemasInterfaceServer extends JSONSchemasInterface_1.default {
     static setSchemaFolder(schemaFolder) {
         if (this.schemaFolder !== schemaFolder) {
@@ -42,5 +41,5 @@ class JSONSchemasInterfaceServer extends JSONSchemasInterface_1.default {
         return super.getSchemaById(schemaId);
     }
 }
-exports.default = JSONSchemasInterfaceServer;
 JSONSchemasInterfaceServer.schemaFolder = path_1.default.resolve(__dirname, "./../schema");
+exports.default = JSONSchemasInterfaceServer;
diff --git a/dist/js/esse/schemaUtils.js b/dist/js/esse/schemaUtils.js
@@ -1,6 +1,6 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.mapObjectDeep = void 0;
+exports.mapObjectDeep = mapObjectDeep;
 function mapObjectDeep(object, mapValue) {
     if (typeof object !== "object" || object === null) {
         return object;
@@ -14,4 +14,3 @@ function mapObjectDeep(object, mapValue) {
     });
     return Object.fromEntries(entries);
 }
-exports.mapObjectDeep = mapObjectDeep;
diff --git a/dist/js/esse/server/utils.js b/dist/js/esse/server/utils.js
@@ -3,7 +3,8 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.parseIncludeReferenceStatementsByDir = exports.parseIncludeReferenceStatements = void 0;
+exports.parseIncludeReferenceStatements = parseIncludeReferenceStatements;
+exports.parseIncludeReferenceStatementsByDir = parseIncludeReferenceStatementsByDir;
 /**
  * Server-side schema parsing utilities.
  *
@@ -37,7 +38,6 @@ function parseIncludeReferenceStatements(filePath) {
     }
     return dereferenced;
 }
-exports.parseIncludeReferenceStatements = parseIncludeReferenceStatements;
 /**
  * Resolves `include` and `$ref` statements for all the JSON files inside a given directory.
  * @param dirPath directory to parse.
@@ -65,4 +65,3 @@ function parseIncludeReferenceStatementsByDir(dirPath, wrapInDataAndPath = false
     });
     return wrapInDataAndPath ? schemasWithPath : schemas;
 }
-exports.parseIncludeReferenceStatementsByDir = parseIncludeReferenceStatementsByDir;
diff --git a/dist/js/esse/utils.js b/dist/js/esse/utils.js
@@ -1,6 +1,7 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.applyPatchTree = exports.applyPatchWithDotNotation = void 0;
+exports.applyPatchWithDotNotation = applyPatchWithDotNotation;
+exports.applyPatchTree = applyPatchTree;
 function isPlainObject(value) {
     return value !== null && typeof value === "object" && !Array.isArray(value);
 }
@@ -28,7 +29,6 @@ function applyPatchWithDotNotation(target, path, patchValue) {
     }
     // If existingValue is undefined, we skip;
 }
-exports.applyPatchWithDotNotation = applyPatchWithDotNotation;
 function applyPatchTree(schema, patchNode, pathPrefix) {
     Object.entries(patchNode).forEach(([key, value]) => {
         if (key.includes(".")) {
@@ -49,4 +49,3 @@ function applyPatchTree(schema, patchNode, pathPrefix) {
         }
     });
 }
-exports.applyPatchTree = applyPatchTree;
diff --git a/dist/js/schema/properties_directory/enum_options.json b/dist/js/schema/properties_directory/enum_options.json
@@ -22,6 +22,7 @@
             "type": "string",
             "enum": [
                 "fermi_energy",
+                "formation_energy",
                 "homo_energy",
                 "ionization_potential",
                 "lumo_energy",

diff --git a/dist/js/schema/property/holder.json b/dist/js/schema/property/holder.json
@@ -411,6 +411,48 @@
                         }
                     }
                 },
+                {
+                    "$schema": "http://json-schema.org/draft-07/schema#",
+                    "title": "Formation energy property schema",
+                    "type": "object",
+                    "required": [
+                        "name",
+                        "units",
+                        "value"
+                    ],
+                    "properties": {
+                        "name": {
+                            "enum": [
+                                "formation_energy"
+                            ],
+                            "type": "string"
+                        },
+                        "units": {
+                            "oneOf": [
+                                {
+                                    "enum": [
+                                        "kcal/mol",
+                                        "kJ/mol",
+                                        "eV",
+                                        "J/mol",
+                                        "hartree",
+                                        "cm-1",
+                                        "Ry",
+                                        "eV/atom"
+                                    ]
+                                },
+                                {
+                                    "enum": [
+                                        "eV/A^2"
+                                    ]
+                                }
+                            ]
+                        },
+                        "value": {
+                            "type": "number"
+                        }
+                    }
+                },
                 {
                     "$schema": "http://json-schema.org/draft-07/schema#",
                     "title": "HOMO energy property schema",

diff --git a/dist/js/schemas.json b/dist/js/schemas.json
diff --git a/dist/js/scripts/compileTs.js b/dist/js/scripts/compileTs.js
@@ -3,6 +3,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
+exports.default = compileTS;
 const fs_1 = __importDefault(require("fs"));
 const json_schema_to_typescript_1 = require("json-schema-to-typescript");
 const schemaUtils_1 = require("../esse/schemaUtils");
@@ -77,4 +78,3 @@ async function compileTS(schemaPath, savePath) {
         await fs_1.default.promises.appendFile(savePath, `${compiledSchema} \n`, { flag: "a+" });
     });
 }
-exports.default = compileTS;
diff --git a/dist/js/scripts/setSchemaIds.js b/dist/js/scripts/setSchemaIds.js
@@ -3,6 +3,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
+exports.default = setSchemaIds;
 const fs_1 = __importDefault(require("fs"));
 const path_1 = __importDefault(require("path"));
 const filesystem_1 = require("../utils/filesystem");
@@ -27,4 +28,3 @@ function setSchemaIds(schemaDir) {
         }
     });
 }
-exports.default = setSchemaIds;
diff --git a/dist/js/types.d.ts b/dist/js/types.d.ts
@@ -52195,7 +52195,7 @@ export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object";
  * This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
  * via the `definition` "ScalarPropertyEnum".
  */
-export type ScalarPropertyEnum = "fermi_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "thermal_correction_to_energy" | "thermal_correction_to_enthalpy" | "total_energy" | "total_force" | "valence_band_offset" | "zero_point_energy";
+export type ScalarPropertyEnum = "fermi_energy" | "formation_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "thermal_correction_to_energy" | "thermal_correction_to_enthalpy" | "total_energy" | "total_force" | "valence_band_offset" | "zero_point_energy";
 /**
  * This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
  * via the `definition` "NonScalarPropertyEnum".
@@ -55908,6 +55908,10 @@ export interface PropertyHolderSchema {
         name: "fermi_energy";
         units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
+    } | {
+        name: "formation_energy";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        value: number;
     } | {
         name: "homo_energy";
         units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";

diff --git a/dist/js/types.js b/dist/js/types.js
@@ -29,7 +29,7 @@ var Name;
     Name["VASPInputDataManager"] = "VASPInputDataManager";
     Name["VASPNEBInputDataManager"] = "VASPNEBInputDataManager";
     Name["NWChemInputDataManager"] = "NWChemInputDataManager";
-})(Name = exports.Name || (exports.Name = {}));
+})(Name || (exports.Name = Name = {}));
 /**
  * This interface was referenced by `ContextProvidersDirectoryEnum`'s JSON-Schema
  * via the `definition` "ContextProviderNameEnum".
@@ -61,15 +61,15 @@ var ContextProviderNameEnum;
     ContextProviderNameEnum["VASPInputDataManager"] = "VASPInputDataManager";
     ContextProviderNameEnum["VASPNEBInputDataManager"] = "VASPNEBInputDataManager";
     ContextProviderNameEnum["NWChemInputDataManager"] = "NWChemInputDataManager";
-})(ContextProviderNameEnum = exports.ContextProviderNameEnum || (exports.ContextProviderNameEnum = {}));
+})(ContextProviderNameEnum || (exports.ContextProviderNameEnum = ContextProviderNameEnum = {}));
 /**
  * The type of the message to distinguish the direction of the message.
  */
 var Type;
 (function (Type) {
     Type["fromIframeToHost"] = "from-iframe-to-host";
     Type["fromHostToIframe"] = "from-host-to-iframe";
-})(Type = exports.Type || (exports.Type = {}));
+})(Type || (exports.Type = Type = {}));
 /**
  * The action to be performed upon receiving the message.
  */
@@ -78,7 +78,7 @@ var Action;
     Action["setData"] = "set-data";
     Action["getData"] = "get-data";
     Action["info"] = "info";
-})(Action = exports.Action || (exports.Action = {}));
+})(Action || (exports.Action = Action = {}));
 /**
  * This interface was referenced by `WorkflowSubworkflowConvergenceEnumOptions`'s JSON-Schema
  * via the `definition` "ConvergenceParameterNameEnum".
@@ -88,4 +88,4 @@ var ConvergenceParameterNameEnum;
     ConvergenceParameterNameEnum["N_k"] = "N_k";
     ConvergenceParameterNameEnum["N_k_nonuniform"] = "N_k_nonuniform";
     ConvergenceParameterNameEnum["N_k_nonuniform_2D"] = "N_k_nonuniform_2D";
-})(ConvergenceParameterNameEnum = exports.ConvergenceParameterNameEnum || (exports.ConvergenceParameterNameEnum = {}));
+})(ConvergenceParameterNameEnum || (exports.ConvergenceParameterNameEnum = ConvergenceParameterNameEnum = {}));
diff --git a/dist/js/utils/ajv.js b/dist/js/utils/ajv.js
@@ -3,7 +3,9 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.validateAndClean = exports.validate = exports.getValidator = void 0;
+exports.getValidator = getValidator;
+exports.validate = validate;
+exports.validateAndClean = validateAndClean;
 const ajv_1 = __importDefault(require("ajv"));
 const ajv_formats_1 = __importDefault(require("ajv-formats"));
 const schemaUtils_1 = require("../esse/schemaUtils");
@@ -23,7 +25,7 @@ function addAdditionalPropertiesToSchema(schema, additionalProperties = false) {
     });
 }
 const ajvConfig = {
-    strict: false,
+    strict: false, // TODO: adjust schemas and enable strict mode
     useDefaults: true,
     /**
      * discriminator fixes default values in oneOf
@@ -80,7 +82,6 @@ function getValidator(jsonSchema, { clean, coerceTypes, useDefaults = true, }) {
     }
     return validate;
 }
-exports.getValidator = getValidator;
 /**
  * Validates a given example against the schema.
  * @param example example to validate.
@@ -95,7 +96,6 @@ function validate(data, jsonSchema) {
         errors: validator.errors,
     };
 }
-exports.validate = validate;
 /**
  * Validates and clean a given example against the schema
  * @param example example to validate.
@@ -110,4 +110,3 @@ function validateAndClean(data, jsonSchema, { coerceTypes = false, useDefaults =
         errors: validator.errors,
     };
 }
-exports.validateAndClean = validateAndClean;
diff --git a/dist/js/utils/common.js b/dist/js/utils/common.js
@@ -1,15 +1,14 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.safeParseJSON = exports.isInstanceOf = void 0;
+exports.isInstanceOf = isInstanceOf;
+exports.safeParseJSON = safeParseJSON;
 function isInstanceOf(object, type) {
     return Object.prototype.toString.call(object).slice(8, -1) === type;
 }
-exports.isInstanceOf = isInstanceOf;
 /**
  * Makes sure that text representing arrays is parsed into Arrays.
  */
 function safeParseJSON(string) {
     const obj = JSON.parse(string);
     return string[0] === "[" ? Object.keys(obj).map((key) => obj[key]) : obj;
 }
-exports.safeParseJSON = safeParseJSON;
diff --git a/dist/js/utils/filesystem.js b/dist/js/utils/filesystem.js
@@ -3,7 +3,8 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.walkDirSync = exports.walkDir = void 0;
+exports.walkDir = walkDir;
+exports.walkDirSync = walkDirSync;
 /* eslint-disable no-await-in-loop */
 /* eslint-disable no-restricted-syntax */
 const fs_1 = __importDefault(require("fs"));
@@ -21,7 +22,6 @@ async function walkDir(dir, callback) {
         }
     }
 }
-exports.walkDir = walkDir;
 function walkDirSync(dir, callback) {
     const subDirs = fs_1.default.readdirSync(dir);
     for (const subDir of subDirs) {
@@ -35,4 +35,3 @@ function walkDirSync(dir, callback) {
         }
     }
 }
-exports.walkDirSync = walkDirSync;
diff --git a/manifest/properties.yaml b/manifest/properties.yaml
@@ -47,6 +47,12 @@ lumo_energy:
   schemaId: properties-directory/scalar/lumo-energy
   isResult: true
 
+formation_energy:
+  defaults:
+    units: eV/atom
+  schemaId: properties-directory/scalar/formation-energy
+  isResult: true
+
 total_force:
   defaults:
     units: eV/angstrom

diff --git a/schema/properties_directory/enum_options.json b/schema/properties_directory/enum_options.json
@@ -22,6 +22,7 @@
             "type": "string",
             "enum": [
                 "fermi_energy",
+                "formation_energy",
                 "homo_energy",
                 "ionization_potential",
                 "lumo_energy",
@@ -91,3 +92,4 @@
         }
     }
 }
+
diff --git a/schema/properties_directory/scalar/formation_energy.json b/schema/properties_directory/scalar/formation_energy.json
@@ -16,6 +16,7 @@
         }
     },
     "required": [
-        "name"
+        "name",
+        "units"
     ]
 }
diff --git a/schema/property/holder.json b/schema/property/holder.json
@@ -48,6 +48,9 @@
                 {
                     "$ref": "../properties_directory/scalar/fermi_energy.json"
                 },
+                {
+                    "$ref": "../properties_directory/scalar/formation_energy.json"
+                },
                 {
                     "$ref": "../properties_directory/scalar/homo_energy.json"
                 },
@@ -193,3 +196,4 @@
         "exabyteId"
     ]
 }
+
-Original file line number
+Diff line change
@@ Expand Up / @@ -16,6 +16,7 @@ @@
             }
         },
         "required": [
-            "name"
+            "name",
+            "units"
         ]
     }