NO

NO2

System

Atomsite

Bondsite

Vacantsite

Atomsite

Bondsite

Vacantsite

50

−0.20

−0.21

−0.23

0.12

−0.92

−0.35

90

−0.14

−0.16

−0.26

−0.23

−0.21

−0.22

55

−0.13

−0.16

−0.11

−0.15

−0.37

−0.17

66

−0.17

−0.17

−0.19

−0.14

−0.38

−0.16