diff --git a/dependencies/parsers/atomistic b/dependencies/parsers/atomistic
index 35eb78b48cb5c06d98ab8884b812134dda8d84f3..4741354878819a8f108fe03679480965127417f6 160000
--- a/dependencies/parsers/atomistic
+++ b/dependencies/parsers/atomistic
@@ -1 +1 @@
-Subproject commit 35eb78b48cb5c06d98ab8884b812134dda8d84f3
+Subproject commit 4741354878819a8f108fe03679480965127417f6
diff --git a/dependencies/schema/simulation/workflow b/dependencies/schema/simulation/workflow
index 2f264537d3f71bd01087bbc4cba416ee33d79996..15b04dbf0d025f4d719a4170983ba3ebd7af04a6 160000
--- a/dependencies/schema/simulation/workflow
+++ b/dependencies/schema/simulation/workflow
@@ -1 +1 @@
-Subproject commit 2f264537d3f71bd01087bbc4cba416ee33d79996
+Subproject commit 15b04dbf0d025f4d719a4170983ba3ebd7af04a6
diff --git a/gui/tests/artifacts.js b/gui/tests/artifacts.js
index ce0851294dce4f505a3b834381e460ea49838f10..bafe358be1f5862297ad81a63efa529828dd4529 100644
--- a/gui/tests/artifacts.js
+++ b/gui/tests/artifacts.js
@@ -99603,6 +99603,184 @@ window.nomadArtifacts = {
"m_def": "nomad.metainfo.metainfo.Section",
"m_parent_index": 2,
"m_parent_sub_section": "section_definitions",
+ "name": "Lambdas",
+ "description": "Section for storing all lambda parameters for free energy perturbation",
+ "base_sections": [
+ "/packages/26/section_definitions/0"
+ ],
+ "quantities": [
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 0,
+ "m_parent_sub_section": "quantities",
+ "name": "type",
+ "description": "The type of lambda interpolation\n\nAllowed values are:\n\n| type | Description |\n\n| ---------------------- | ----------------------------------------- |\n\n| `\"output\"` | Lambdas for the free energy outputs saved.\n These will also act as a default in case some\n relevant lambdas are not specified. |\n\n| `\"coulomb\"` | Lambdas for interpolating electrostatic interactions. |\n\n| `\"vdw\"` | Lambdas for interpolating van der Waals interactions. |\n\n| `\"bonded\"` | Lambdas for interpolating all intramolecular interactions. |\n\n| `\"restraint\"` | Lambdas for interpolating restraints. |\n\n| `\"mass\"` | Lambdas for interpolating masses. |\n\n| `\"temperature\"` | Lambdas for interpolating temperature. |",
+ "type": {
+ "type_kind": "Enum",
+ "type_data": [
+ "output",
+ "coulomb",
+ "vdw",
+ "bonded",
+ "restraint",
+ "mass",
+ "temperature"
+ ]
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 1,
+ "m_parent_sub_section": "quantities",
+ "name": "value",
+ "description": "List of lambdas.",
+ "type": {
+ "type_kind": "numpy",
+ "type_data": "float64"
+ },
+ "shape": []
+ }
+ ]
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Section",
+ "m_parent_index": 3,
+ "m_parent_sub_section": "section_definitions",
+ "name": "FreeEnergyCalculationParameters",
+ "description": "Section containing the parameters pertaining to a free energy calculation workflow that interpolates between two system states (defined via the interpolation parameter lambda).\nThe parameters are stored for each molecular dynamics run separately, to be referenced\nby the overarching workflow.",
+ "base_sections": [
+ "/packages/26/section_definitions/0"
+ ],
+ "quantities": [
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 0,
+ "m_parent_sub_section": "quantities",
+ "name": "type",
+ "description": "Specifies the type of workflow. Allowed values are:\n\n| kind | Description |\n\n| ---------------------- | ----------------------------------------- |\n\n| `\"alchemical\"` | A non-physical transformation between 2 well-defined systems,\n typically achieved by smoothly interpolating between Hamiltonians or force fields. |\n\n| `\"umbrella_sampling\"` | A sampling of the path between 2 well-defined (sub)states of a system,\n typically achieved by applying a biasing force to the force field along a\n specified reaction coordinate.",
+ "type": {
+ "type_kind": "Enum",
+ "type_data": [
+ "alchemical",
+ "umbrella_sampling"
+ ]
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 1,
+ "m_parent_sub_section": "quantities",
+ "name": "lambda_index",
+ "description": "The index of the lambda in `lambdas` corresponding to the state of the current simulation.",
+ "type": {
+ "type_kind": "python",
+ "type_data": "int"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 2,
+ "m_parent_sub_section": "quantities",
+ "name": "atom_indices",
+ "description": "List of atom indices involved in the interpolation.",
+ "type": {
+ "type_kind": "numpy",
+ "type_data": "int32"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 3,
+ "m_parent_sub_section": "quantities",
+ "name": "initial_state_vdw",
+ "description": "Specifies whether vdw interactions are on (True) or off (False) in the initial state (i.e., lambda = 0).",
+ "type": {
+ "type_kind": "python",
+ "type_data": "bool"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 4,
+ "m_parent_sub_section": "quantities",
+ "name": "final_state_vdw",
+ "description": "Specifies whether vdw interactions are on (True) or off (False) in the final state (i.e., lambda = 0).",
+ "type": {
+ "type_kind": "python",
+ "type_data": "bool"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 5,
+ "m_parent_sub_section": "quantities",
+ "name": "initial_state_coloumb",
+ "description": "Specifies whether vdw interactions are on (True) or off (False) in the initial state (i.e., lambda = 0).",
+ "type": {
+ "type_kind": "python",
+ "type_data": "bool"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 6,
+ "m_parent_sub_section": "quantities",
+ "name": "final_state_coloumb",
+ "description": "Specifies whether vdw interactions are on (True) or off (False) in the final state (i.e., lambda = 0).",
+ "type": {
+ "type_kind": "python",
+ "type_data": "bool"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 7,
+ "m_parent_sub_section": "quantities",
+ "name": "initial_state_bonded",
+ "description": "Specifies whether bonded interactions are on (True) or off (False) in the initial state (i.e., lambda = 0).",
+ "type": {
+ "type_kind": "python",
+ "type_data": "bool"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 8,
+ "m_parent_sub_section": "quantities",
+ "name": "final_state_bonded",
+ "description": "Specifies whether bonded interactions are on (True) or off (False) in the final state (i.e., lambda = 0).",
+ "type": {
+ "type_kind": "python",
+ "type_data": "bool"
+ },
+ "shape": []
+ }
+ ],
+ "sub_sections": [
+ {
+ "m_def": "nomad.metainfo.metainfo.SubSection",
+ "m_parent_index": 0,
+ "m_parent_sub_section": "sub_sections",
+ "name": "lambdas",
+ "description": "Contains the lists of lambda values defined for the interpolation of the system.",
+ "sub_section": "/packages/56/section_definitions/2",
+ "repeats": true
+ }
+ ]
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Section",
+ "m_parent_index": 4,
+ "m_parent_sub_section": "section_definitions",
"name": "MolecularDynamicsMethod",
"base_sections": [
"/packages/52/section_definitions/0"
@@ -99746,12 +99924,20 @@ window.nomadArtifacts = {
"name": "barostat_parameters",
"sub_section": "/packages/56/section_definitions/1",
"repeats": true
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.SubSection",
+ "m_parent_index": 2,
+ "m_parent_sub_section": "sub_sections",
+ "name": "free_energy_calculation_parameters",
+ "sub_section": "/packages/56/section_definitions/3",
+ "repeats": true
}
]
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 3,
+ "m_parent_index": 5,
"m_parent_sub_section": "section_definitions",
"name": "Property",
"description": "Generic parent section for all property types.",
@@ -99808,7 +99994,7 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 4,
+ "m_parent_index": 6,
"m_parent_sub_section": "section_definitions",
"name": "PropertyValues",
"description": "Generic parent section for information regarding the values of a property.",
@@ -99849,12 +100035,12 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 5,
+ "m_parent_index": 7,
"m_parent_sub_section": "section_definitions",
"name": "EnsemblePropertyValues",
"description": "Generic section containing information regarding the values of an ensemble property.",
"base_sections": [
- "/packages/56/section_definitions/4"
+ "/packages/56/section_definitions/6"
],
"quantities": [
{
@@ -99949,12 +100135,12 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 6,
+ "m_parent_index": 8,
"m_parent_sub_section": "section_definitions",
"name": "RadialDistributionFunctionValues",
"description": "Section containing information regarding the values of radial distribution functions (rdfs).",
"base_sections": [
- "/packages/56/section_definitions/5"
+ "/packages/56/section_definitions/7"
],
"quantities": [
{
@@ -99990,12 +100176,12 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 7,
+ "m_parent_index": 9,
"m_parent_sub_section": "section_definitions",
"name": "EnsembleProperty",
"description": "Generic section containing information about a calculation of any static observable from a trajectory (i.e., from an ensemble average).",
"base_sections": [
- "/packages/56/section_definitions/3"
+ "/packages/56/section_definitions/5"
],
"quantities": [
{
@@ -100043,19 +100229,19 @@ window.nomadArtifacts = {
"m_parent_index": 0,
"m_parent_sub_section": "sub_sections",
"name": "ensemble_property_values",
- "sub_section": "/packages/56/section_definitions/5",
+ "sub_section": "/packages/56/section_definitions/7",
"repeats": true
}
]
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 8,
+ "m_parent_index": 10,
"m_parent_sub_section": "section_definitions",
"name": "RadialDistributionFunction",
"description": "Section containing information about the calculation of radial distribution functions (rdfs).",
"base_sections": [
- "/packages/56/section_definitions/7"
+ "/packages/56/section_definitions/9"
],
"sub_sections": [
{
@@ -100063,19 +100249,19 @@ window.nomadArtifacts = {
"m_parent_index": 0,
"m_parent_sub_section": "sub_sections",
"name": "radial_distribution_function_values",
- "sub_section": "/packages/56/section_definitions/6",
+ "sub_section": "/packages/56/section_definitions/8",
"repeats": true
}
]
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 9,
+ "m_parent_index": 11,
"m_parent_sub_section": "section_definitions",
"name": "TrajectoryProperty",
"description": "Generic section containing information about a calculation of any observable defined and stored at each individual frame of a trajectory.",
"base_sections": [
- "/packages/56/section_definitions/3"
+ "/packages/56/section_definitions/5"
],
"quantities": [
{
@@ -100123,7 +100309,7 @@ window.nomadArtifacts = {
"m_def": "nomad.metainfo.metainfo.Quantity",
"m_parent_index": 3,
"m_parent_sub_section": "quantities",
- "name": "value",
+ "name": "value_magnitude",
"description": "Values of the property.",
"type": {
"type_kind": "numpy",
@@ -100137,6 +100323,18 @@ window.nomadArtifacts = {
"m_def": "nomad.metainfo.metainfo.Quantity",
"m_parent_index": 4,
"m_parent_sub_section": "quantities",
+ "name": "value_unit",
+ "description": "Unit of the property, using UnitRegistry() notation.",
+ "type": {
+ "type_kind": "python",
+ "type_data": "str"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 5,
+ "m_parent_sub_section": "quantities",
"name": "errors",
"description": "Error associated with the determination of the property.",
"type": {
@@ -100151,12 +100349,12 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 10,
+ "m_parent_index": 12,
"m_parent_sub_section": "section_definitions",
"name": "RadiusOfGyration",
"description": "Section containing information about the calculation of radius of gyration (Rg).",
"base_sections": [
- "/packages/56/section_definitions/9"
+ "/packages/56/section_definitions/11"
],
"quantities": [
{
@@ -100192,12 +100390,120 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 11,
+ "m_parent_index": 13,
+ "m_parent_sub_section": "section_definitions",
+ "name": "FreeEnergyCalculations",
+ "description": "Section containing information regarding the instantaneous (i.e., for a single configuration) values of free energies calculated via thermodynamic perturbation.\nThe values stored are actually infinitesimal changes in the free energy, determined as derivatives\nof the Hamiltonian with respect to the coupling parameter (lambda) defining each state for the perturbation.",
+ "base_sections": [
+ "/packages/56/section_definitions/11"
+ ],
+ "quantities": [
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 0,
+ "m_parent_sub_section": "quantities",
+ "name": "method_ref",
+ "description": "Links the free energy results with the method parameters.",
+ "type": {
+ "type_kind": "reference",
+ "type_data": "/packages/56/section_definitions/3"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 1,
+ "m_parent_sub_section": "quantities",
+ "name": "lambda_index",
+ "description": "Index of the lambda state for the present simulation within the free energy calculation workflow.\nI.e., lambda = method_ref.lambdas.values[lambda_index]",
+ "type": {
+ "type_kind": "python",
+ "type_data": "int"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 2,
+ "m_parent_sub_section": "quantities",
+ "name": "n_states",
+ "description": "Number of states defined for the interpolation of the system, as indicate in `method_ref`.",
+ "type": {
+ "type_kind": "python",
+ "type_data": "int"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 3,
+ "m_parent_sub_section": "quantities",
+ "name": "value_unit",
+ "description": "Unit of the property, using UnitRegistry() notation.\nIn this case, the unit corresponds to all `value` properties stored within this section.",
+ "type": {
+ "type_kind": "python",
+ "type_data": "str"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 4,
+ "m_parent_sub_section": "quantities",
+ "name": "value_total_energy_magnitude",
+ "description": "Value of the total energy for the present lambda state. The expected dimensions are [\"n_frames\"].\nThis quantity is a reference to the data (file+path), which is stored in an HDF5 file for efficiency.",
+ "type": {
+ "type_kind": "custom",
+ "type_data": "nomad.metainfo.metainfo._HDF5Reference"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 5,
+ "m_parent_sub_section": "quantities",
+ "name": "value_PV_energy_magnitude",
+ "description": "Value of the pressure-volume energy (i.e., P*V) for the present lambda state. The expected dimensions are [\"n_frames\"].\nThis quantity is a reference to the data (file+path), which is stored in an HDF5 file for efficiency.",
+ "type": {
+ "type_kind": "custom",
+ "type_data": "nomad.metainfo.metainfo._HDF5Reference"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 6,
+ "m_parent_sub_section": "quantities",
+ "name": "value_total_energy_differences_magnitude",
+ "description": "Values correspond to the difference in total energy between each specified lambda state\nand the reference state, which corresponds to the value of lambda of the current simulation.\nThe expected dimensions are [\"n_frames\", \"n_states\"].\nThis quantity is a reference to the data (file+path), which is stored in an HDF5 file for efficiency.",
+ "type": {
+ "type_kind": "custom",
+ "type_data": "nomad.metainfo.metainfo._HDF5Reference"
+ },
+ "shape": []
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Quantity",
+ "m_parent_index": 7,
+ "m_parent_sub_section": "quantities",
+ "name": "value_total_energy_derivative_magnitude",
+ "description": "Value of the derivative of the total energy with respect to lambda, evaluated for the current\nlambda state. The expected dimensions are [\"n_frames\"].\nThis quantity is a reference to the data (file+path), which is stored in an HDF5 file for efficiency.",
+ "type": {
+ "type_kind": "custom",
+ "type_data": "nomad.metainfo.metainfo._HDF5Reference"
+ },
+ "shape": []
+ }
+ ]
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.Section",
+ "m_parent_index": 14,
"m_parent_sub_section": "section_definitions",
"name": "DiffusionConstantValues",
"description": "Section containing information regarding the diffusion constants.",
"base_sections": [
- "/packages/56/section_definitions/4"
+ "/packages/56/section_definitions/6"
],
"quantities": [
{
@@ -100229,12 +100535,12 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 12,
+ "m_parent_index": 15,
"m_parent_sub_section": "section_definitions",
"name": "CorrelationFunctionValues",
"description": "Generic section containing information regarding the values of a correlation function.",
"base_sections": [
- "/packages/56/section_definitions/4"
+ "/packages/56/section_definitions/6"
],
"quantities": [
{
@@ -100294,12 +100600,12 @@ window.nomadArtifacts = {
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 13,
+ "m_parent_index": 16,
"m_parent_sub_section": "section_definitions",
"name": "MeanSquaredDisplacementValues",
"description": "Section containing information regarding the values of a mean squared displacements (msds).",
"base_sections": [
- "/packages/56/section_definitions/12"
+ "/packages/56/section_definitions/15"
],
"quantities": [
{
@@ -100353,19 +100659,19 @@ window.nomadArtifacts = {
"m_parent_index": 0,
"m_parent_sub_section": "sub_sections",
"name": "diffusion_constant",
- "sub_section": "/packages/56/section_definitions/11",
+ "sub_section": "/packages/56/section_definitions/14",
"repeats": false
}
]
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 14,
+ "m_parent_index": 17,
"m_parent_sub_section": "section_definitions",
"name": "CorrelationFunction",
"description": "Generic section containing information about a calculation of any time correlation function from a trajectory.",
"base_sections": [
- "/packages/56/section_definitions/3"
+ "/packages/56/section_definitions/5"
],
"quantities": [
{
@@ -100395,19 +100701,19 @@ window.nomadArtifacts = {
"m_parent_index": 0,
"m_parent_sub_section": "sub_sections",
"name": "correlation_function_values",
- "sub_section": "/packages/56/section_definitions/12",
+ "sub_section": "/packages/56/section_definitions/15",
"repeats": true
}
]
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 15,
+ "m_parent_index": 18,
"m_parent_sub_section": "section_definitions",
"name": "MeanSquaredDisplacement",
"description": "Section containing information about a calculation of any mean squared displacements (msds).",
"base_sections": [
- "/packages/56/section_definitions/14"
+ "/packages/56/section_definitions/17"
],
"sub_sections": [
{
@@ -100415,14 +100721,14 @@ window.nomadArtifacts = {
"m_parent_index": 0,
"m_parent_sub_section": "sub_sections",
"name": "mean_squared_displacement_values",
- "sub_section": "/packages/56/section_definitions/13",
+ "sub_section": "/packages/56/section_definitions/16",
"repeats": true
}
]
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 16,
+ "m_parent_index": 19,
"m_parent_sub_section": "section_definitions",
"name": "MolecularDynamicsResults",
"base_sections": [
@@ -100474,7 +100780,7 @@ window.nomadArtifacts = {
"m_parent_index": 0,
"m_parent_sub_section": "sub_sections",
"name": "radial_distribution_functions",
- "sub_section": "/packages/56/section_definitions/8",
+ "sub_section": "/packages/56/section_definitions/10",
"repeats": true
},
{
@@ -100482,7 +100788,7 @@ window.nomadArtifacts = {
"m_parent_index": 1,
"m_parent_sub_section": "sub_sections",
"name": "ensemble_properties",
- "sub_section": "/packages/56/section_definitions/7",
+ "sub_section": "/packages/56/section_definitions/9",
"repeats": true
},
{
@@ -100490,7 +100796,7 @@ window.nomadArtifacts = {
"m_parent_index": 2,
"m_parent_sub_section": "sub_sections",
"name": "correlation_functions",
- "sub_section": "/packages/56/section_definitions/14",
+ "sub_section": "/packages/56/section_definitions/17",
"repeats": true
},
{
@@ -100498,7 +100804,7 @@ window.nomadArtifacts = {
"m_parent_index": 3,
"m_parent_sub_section": "sub_sections",
"name": "radius_of_gyration",
- "sub_section": "/packages/56/section_definitions/10",
+ "sub_section": "/packages/56/section_definitions/12",
"repeats": true
},
{
@@ -100506,14 +100812,22 @@ window.nomadArtifacts = {
"m_parent_index": 4,
"m_parent_sub_section": "sub_sections",
"name": "mean_squared_displacements",
- "sub_section": "/packages/56/section_definitions/15",
+ "sub_section": "/packages/56/section_definitions/18",
+ "repeats": true
+ },
+ {
+ "m_def": "nomad.metainfo.metainfo.SubSection",
+ "m_parent_index": 5,
+ "m_parent_sub_section": "sub_sections",
+ "name": "free_energy_calculations",
+ "sub_section": "/packages/56/section_definitions/13",
"repeats": true
}
]
},
{
"m_def": "nomad.metainfo.metainfo.Section",
- "m_parent_index": 17,
+ "m_parent_index": 20,
"m_parent_sub_section": "section_definitions",
"name": "MolecularDynamics",
"base_sections": [
@@ -100525,7 +100839,7 @@ window.nomadArtifacts = {
"m_parent_index": 0,
"m_parent_sub_section": "sub_sections",
"name": "method",
- "sub_section": "/packages/56/section_definitions/2"
+ "sub_section": "/packages/56/section_definitions/4"
},
{
"m_def": "nomad.metainfo.metainfo.SubSection",
@@ -100535,7 +100849,7 @@ window.nomadArtifacts = {
"categories": [
"/packages/28/category_definitions/0"
],
- "sub_section": "/packages/56/section_definitions/16"
+ "sub_section": "/packages/56/section_definitions/19"
}
]
}