update: fix metadata for si(100)

materials/Si-[Silicon_(100)_surface_(reconstructed)]-TRI_[P1]_2D_[Surface]-[mavrl-si-100-r].json

@@ -0,0 +1 @@
+{"name": "Si, Silicon (100) surface (reconstructed), TRI (P1) 2D (Surface), mavrl-si-100-r", "lattice": {"type": "ORC", "a": 7.733949, "b": 3.866975, "c": 21.874912, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "units": {"length": "angstrom", "angle": "degree"}}, "basis": {"units": "crystal", "elements": [{"id": 0, "value": "Si"}, {"id": 1, "value": "Si"}, {"id": 2, "value": "Si"}, {"id": 3, "value": "Si"}, {"id": 4, "value": "Si"}, {"id": 5, "value": "Si"}, {"id": 6, "value": "Si"}, {"id": 7, "value": "Si"}, {"id": 8, "value": "Si"}, {"id": 9, "value": "Si"}, {"id": 10, "value": "Si"}, {"id": 11, "value": "Si"}, {"id": 12, "value": "Si"}, {"id": 13, "value": "Si"}, {"id": 14, "value": "Si"}, {"id": 15, "value": "Si"}], "coordinates": [{"id": 0, "value": [0.991208, 0.0, 0.786609]}, {"id": 1, "value": [0.508313, 0.0, 0.775584]}, {"id": 2, "value": [0.997425, 0.5, 0.850596]}, {"id": 3, "value": [0.498162, 0.5, 0.83682]}, {"id": 4, "value": [0.264643, 0.5, 0.907008]}, {"id": 5, "value": [0.736349, 0.5, 0.90915]}, {"id": 6, "value": [0.307094, 0.0, 0.970707]}, {"id": 7, "value": [0.592885, 0.0, 0.941019]}, {"id": 8, "value": [0.157115, 0.0, 0.558981]}, {"id": 9, "value": [0.442906, 0.0, 0.529293]}, {"id": 10, "value": [0.013651, 0.5, 0.59085]}, {"id": 11, "value": [0.485357, 0.5, 0.592992]}, {"id": 12, "value": [0.251838, 0.5, 0.66318]}, {"id": 13, "value": [0.752575, 0.5, 0.649404]}, {"id": 14, "value": [0.241687, 0.0, 0.724416]}, {"id": 15, "value": [0.758792, 0.0, 0.713391]}]}, "external": {"id": "mavrl-si-100-r", "source": "Materials Virtual Lab", "doi": "10.1038/sdata.2016.80", "url": "https://crystalium.materialsvirtuallab.org/", "origin": true}, "isNonPeriodic": false}

materials/sources/manifest.yml

@@ -375,7 +375,7 @@ sources:
 
   - filename: mavrl-si-100-r.poscar
     common_name: Silicon (100) surface (reconstructed)
-    lattice_type: FCC
+    lattice_type: TRI
     space_group: P1
     dimensionality: 2D
     form_factor: Surface