add info dict to ase structures

Author: PKUfjh

dpdata/plugins/ase.py

@@ -159,6 +159,9 @@ def to_labeled_system(self, data, *args, **kwargs):
                 results['stress'] = -data["virials"][ii] / vol
 
             structure.calc = SinglePointCalculator(structure, **results)
+            structure.info['energy'] = data["energies"][ii]
+            structure.info['forces'] = data["forces"][ii]
+            structure.info['virials'] = data["virials"][ii]
             structures.append(structure)
 
         return structures