Added total energy per atom.

d1e1e10b · Bieniek, Bjoern (biebj) · 6c70ed9b · d1e1e10b
Commit d1e1e10b authored Jan 16, 2017 by Bieniek, Bjoern (biebj)
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meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json +11 -0

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--- a/meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json
+++ b/meta_info/nomad_meta_info/atomic_data.nomadmetainfo.json
@@ -59,6 +59,17 @@
      ],
      "units": "J"
    },
+    {
+      "description": "Total energy per atom.",
+      "dtypeStr": "f",
+      "name": "atomic_total_energy",
+      "shape": [],
+      "shortname": "E_Tot",
+      "superNames": [
+        "section_atomic_property"
+      ],
+      "units": "J"
+    },
    {
      "description": "The element symbol in the periodic table.",
      "dtypeStr": "C",