Optional descriptionuser-facing description of the property
Optional parametersparameter name associated to the multidimensional property
is this property associated with a full structure or a single atom?
Optional unitsunit of the property values
values of the property
string values should represent classification results (category "A", "B" or "C"); and numeric values should be use for everything else.
2D properties are also supported, with the goal of displaying one curve for each atom/structure. In this case, the first dimension of the 2D array corresponds to number of structures/atoms and the second dimension corresponds to the values for each structure/atom.
A single property in a dataset.
Properties can be physical properties (energy, number of atoms, density, etc.); values associated with the structure (such as SOAP vectors), projected onto a lower dimensionality sub-space (through PCA or any other algorithm); or any other value associated with every structure/environment in the dataset.