{ "meta_name":"atom_forces_raw", "meta_type":"type-value", "meta_description":[ "Forces acting on the atoms, calculated as minus gradient of energy_total, ", "**without** constraints. The derivatives with respect to displacements of the ", "nuclei are evaluated in Cartesian coordinates. These forces may contain unitary ", "transformations (center-of-mass translations and rigid rotations for ", "non-periodic systems) that are normally filtered separately (see atom_forces ", "for the filtered counterpart). Forces due to constraints such as fixed atoms, ", "distances, angles, dihedrals, etc. are also considered separately (see ", "atom_forces for the filtered counterpart)."], "meta_parent_section":"section_single_configuration_calculation", "meta_abstract_types":[ "atom_forces_type"], "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"number_of_atoms" },{ "meta_dimension_fixed":3 }], "meta_repeats":true, "meta_units":"N" }