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nomad-lab
normalizer-prototypes
Commits
a5b23e63
Commit
a5b23e63
authored
Jun 29, 2017
by
Daria M. Tomecka
Browse files
adding some examples for testing (we know how those should be classified)
parent
f154be63
Changes
3
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normalizer/normalizer-prototypes/example2.inp
0 → 100644
View file @
a5b23e63
{
"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]}],
"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]}
}
normalizer/normalizer-prototypes/example3.inp
0 → 100644
View file @
a5b23e63
{
"type": "nomad_section_2_0",
"name": "section_system",
"gIndex": 0,
"uri": "nmd://NcC8TDWGWCtQLhWeB2a1N8y9Q7y4r/CCDeb8diABbP4BgHPwHeKgmdzadEM/section_run/0c/section_system/0c",
"atom_labels": [{"flatData":["Sn","Sn"],"shape":[2]},{"flatData":["Sn","Sn"],"shape":[2]}],
"atom_positions": [{"flatData":[0.0,0.0,0.0,1.6415278E-10,-9.477365356213973E-11,2.724677455E-10],"shape":[2,3]},{"flatData":[0.0,0.0,0.0,1.6415278E-10,-9.477365356213973E-11,2.724677455E-10],"shape":[2,3]}],
"configuration_periodic_dimensions": [{"flatData":[true,true,true],"shape":[3]}],
"simulation_cell": {"flatData":[1.6415278E-10,-2.84320955E-10,0.0,1.6415278E-10,2.84320955E-10,0.0,0.0,0.0,5.44935491E-10],"shape":[3,3]}
}
\ No newline at end of file
normalizer/normalizer-prototypes/example4.inp
0 → 100644
View file @
a5b23e63
{
"type": "nomad_section_2_0",
"name": "section_system",
"gIndex": 0,
"uri": "nmd://NcC8TDWGWCtQLhWeB2a1N8y9Q7y4r/Cx_ur73_FOgMaVin27w-dT6nh3dvN/section_run/0c/section_system/0c",
"atom_labels": [{"flatData":["In"],"shape":[1]},{"flatData":["In"],"shape":[1]}],
"atom_positions": [{"flatData":[0.0,0.0,0.0],"shape":[1,3]},{"flatData":[0.0,0.0,0.0],"shape":[1,3]}],
"configuration_periodic_dimensions": [{"flatData":[true,true,true],"shape":[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]}
}
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