ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_24 ✕ no_equ_23 ✕ no_equ_1 ✕ no_equ_8 ✕ no_equ_10 ✕ no_equ_19 ✕ Mass ✕ PBC ✕ no_equ_9 ✕ Charge ✕ distance ✕ no_equ_7 ✕
1 - - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - 17285.869 TTT ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 0.000 1.865 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290
2 - - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 - 17285.869 TTT ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 0.000 1.012 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799
3 - - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - 17285.869 TTT ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 0.000 0.409 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794
4 - - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 17285.869 TTT ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 0.000 0.260 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061
5 - - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 17285.869 TTT ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 0.000 0.399 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705
6 - - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - 17285.869 TTT ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 0.000 0.772 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941
7 - - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - 17285.869 TTT ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 0.000 1.238 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138
8 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 17285.869 TTT ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 0.000 3.861 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015