diff --git a/normalizer/normalizer-prototypes/example2.inp b/normalizer/normalizer-prototypes/example2.inp index 376da4ddc2ae36ab84b32fedddcb9811720b6791..d1204253320f731c322e40815494a465470cda93 100644 --- a/normalizer/normalizer-prototypes/example2.inp +++ b/normalizer/normalizer-prototypes/example2.inp @@ -2,9 +2,15 @@ "type": "nomad_section_2_0", "name": "section_system", "gIndex": 0, - "uri": "nmd://NcC8TDWGWCtQLhWeB2a1N8y9Q7y4r/CkudBi2tW4arm9RpQeCeKGh1ydES7/section_run/0c/section_system/0c", - "atom_labels": [{"flatData":["In","In"],"shape":[2]},{"flatData":["In","In"],"shape":[2]}], - "atom_positions": [{"flatData":[0.0,0.0,0.0,1.62382093E-10,-9.375134687502691E-11,2.6778201450000004E-10],"shape":[2,3]},{"flatData":[0.0,0.0,0.0,1.62382093E-10,-9.375134687502691E-11,2.6778201450000004E-10],"shape":[2,3]}], + "uri": "nmd://NcC8TDWGWCtQLhWeB2a1N8y9Q7y4r/Cx_ur73_FOgMaVin27w-dT6nh3dvN/section_run/0c/section_system/0c", + "atom_labels": {"flatData":["In"],"shape":[1]}, + "atom_positions": {"flatData":[0.0,0.0,0.0],"shape":[1,3]}, + "atom_species": [49], "configuration_periodic_dimensions": [{"flatData":[true,true,true],"shape":[3]}], - "simulation_cell": {"flatData":[1.62382093E-10,-2.81254035E-10,0.0,1.62382093E-10,2.81254035E-10,0.0,0.0,0.0,5.355640290000001E-10],"shape":[3,3]} + "configuration_raw_gid": "sFV4VoynKptGQGWvApuzXo5fNXgs4", + "lattice_vectors": {"flatData":[-1.83172656E-10,1.83172656E-10,1.83172656E-10,1.83172656E-10,-1.83172656E-10,1.83172656E-10,1.83172656E-10,1.83172656E-10,-1.83172656E-10],"shape":[3,3]}, + "simulation_cell": {"flatData":[-1.83172656E-10,1.83172656E-10,1.83172656E-10,1.83172656E-10,-1.83172656E-10,1.83172656E-10,1.83172656E-10,1.83172656E-10,-1.83172656E-10],"shape":[3,3]}, + "system_composition": "In", + "system_configuration_consistent": true, + "system_reweighted_composition": "In100" }