↓
ID
✕
|
no_equ_18
✕
|
no_equ_4
✕
|
no_equ_3
✕
|
no_equ_12
✕
|
no_equ_16
✕
|
no_equ_5
✕
|
Volume
✕
|
plane_index
✕
|
no_equ_27
✕
|
atom_E
✕
|
no_equ_26
✕
|
no_equ_11
✕
|
no_equ_13
✕
|
no_equ_31
✕
|
no_equ_21
✕
|
1
|
-
|
ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
|
ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
|
ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
|
ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
|
ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
|
1730.483
|
100
|
-
|
-0.299
|
-
|
ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244
|
ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
|
-
|
-
|
2
|
ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
|
ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
|
ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
|
ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
|
ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
|
ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
|
1730.483
|
100
|
-
|
-0.039
|
-
|
ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313
|
ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
|
-
|
-
|
3
|
-
|
ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
|
ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
|
ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
|
ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
|
ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
|
1730.483
|
100
|
-
|
-0.349
|
-
|
ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989
|
ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
|
-
|
-
|
4
|
ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
|
ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
|
ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
|
ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
|
ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
|
ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
|
1730.483
|
100
|
-
|
-1.248
|
-
|
ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693
|
ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
|
-
|
ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928
|
5
|
ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
|
ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
|
ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
|
ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
|
ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
|
ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
|
1730.483
|
100
|
-
|
-3.124
|
-
|
ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162
|
ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
|
-
|
-
|
6
|
-
|
ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
|
ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
|
ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
|
ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
|
ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
|
1730.483
|
100
|
-
|
-1.533
|
-
|
ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537
|
ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
|
-
|
-
|
7
|
-
|
ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
|
ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
|
ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
|
-
|
ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
|
1730.483
|
100
|
-
|
-0.424
|
-
|
ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125
|
ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
|
-
|
-
|
8
|
ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005
|
ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057
|
ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139
|
ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010
|
ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006
|
ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014
|
1730.483
|
100
|
ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005
|
-0.025
|
ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005
|
ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012
|
ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009
|
ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005
|
ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005
|