Commit 74a7610c authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

adding more examples

parent d8e8df76
[{
"program_name": ["elastic"],
"program_version": ["0.1"],
"XC_functional_name": ["GGA_X_PBE"],
"electronic_structure_method": ["DFT"],
"section_single_confguration_calculation.length": 1,
"energy_total.last": 0.01,
"main_file_uri": ["nmd://RYJzDjMV-SsIq1_2JWmLzRWe9FVZy/data/NOMAD-x-paper-Si-ec-LDA/INFO_ElaStic"],
"section_system.last": {
"type": "nomad_section_2_0",
"name": "section_system",
"gIndex": 0,
"uri": "nmd://NYJzDjMV-SsIq1_2JWmLzRWe9FVZy/Cv6K8JUNd_sHThGLLflJIKzFHiAte/section_run/0c/section_system/0c",
"atom_labels": {"flatData":["Si","Si"],"shape":[2]},
"atom_positions": {"flatData":[0.0,0.0,0.0,0.25,0.25,0.25],"shape":[2,3]},
"configuration_periodic_dimensions": [{"flatData":[true,true,true],"shape":[3]}],
"simulation_cell": {"flatData":[0.0,2.702666768054891E-10,2.702666768054891E-10,2.702666768054891E-10,0.0,2.702666768054891E-10,2.702666768054891E-10,2.702666768054891E-10,0.0],"shape":[3,3]},
"system_configuration_consistent": false,
"system_type": "Bulk",
"x_elastic_space_group_number": 227,
"x_elastic_unit_cell_volume": 3.948275968140626E-29
},
"section_repository_info.uri": null}]
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