↓
ID
✕
|
atom_E
✕
|
no_equ_28
✕
|
slab_E
✕
|
no_equ_2
✕
|
no_equ_25
✕
|
Username
✕
|
Mass
✕
|
no_equ_11
✕
|
no_equ_26
✕
|
no_equ_4
✕
|
no_equ_23
✕
|
distance
✕
|
no_equ_17
✕
|
plane_index
✕
|
no_equ_24
✕
|
1
|
-0.299
|
-
|
-190.592
|
ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
|
-
|
hecc
|
17285.869
|
ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
|
-
|
ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
|
-
|
1.865
|
-
|
100
|
-
|
2
|
-0.039
|
-
|
-190.592
|
ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
|
-
|
hecc
|
17285.869
|
ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
|
-
|
ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
|
-
|
1.012
|
ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
|
100
|
-
|
3
|
-0.349
|
-
|
-190.592
|
ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
|
-
|
hecc
|
17285.869
|
ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
|
-
|
ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
|
-
|
0.409
|
ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
|
100
|
-
|
4
|
-1.248
|
-
|
-190.592
|
ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
|
-
|
hecc
|
17285.869
|
ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
|
-
|
ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
|
-
|
0.260
|
ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
|
100
|
-
|
5
|
-3.124
|
-
|
-190.592
|
ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
|
-
|
hecc
|
17285.869
|
ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
|
-
|
ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
|
-
|
0.399
|
ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
|
100
|
-
|
6
|
-1.533
|
-
|
-190.592
|
ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
|
-
|
hecc
|
17285.869
|
ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
|
-
|
ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
|
-
|
0.772
|
-
|
100
|
-
|
7
|
-0.424
|
-
|
-190.592
|
ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
|
-
|
hecc
|
17285.869
|
ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
|
-
|
ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
|
-
|
1.238
|
-
|
100
|
-
|
8
|
-0.025
|
ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005
|
-190.592
|
ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278
|
ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005
|
hecc
|
17285.869
|
ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012
|
ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005
|
ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057
|
ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005
|
3.861
|
ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006
|
100
|
ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005
|