ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ no_equ_30 ✕ no_equ_8 ✕ no_equ_1 ✕ PBC ✕ ads_E ✕ no_equ_9 ✕ no_equ_31 ✕ Username ✕ atom_E ✕ no_equ_17 ✕ no_equ_15 ✕ no_equ_4 ✕ Age ✕ no_equ_2 ✕ no_equ_25 ✕ Maximum force ✕ no_equ_27 ✕ no_equ_24 ✕
1 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 TTT -2.222 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 - hecc -0.299 - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 13M ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - 0.009 - -
2 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 TTT -2.934 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 - hecc -0.039 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 13M ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - 0.010 - -
3 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 TTT -5.472 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 - hecc -0.349 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 13M ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - 0.005 - -
4 - ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 TTT -6.254 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 - hecc -1.248 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 13M ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - 0.010 - -
5 - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 TTT -4.599 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 - hecc -3.124 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 13M ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - 0.005 - -
6 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 TTT -5.385 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 - hecc -1.533 - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 13M ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - 0.008 - -
7 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 TTT -4.264 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - hecc -0.424 - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 13M ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - 0.006 - -
8 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 TTT 0.020 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 hecc -0.025 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 13M 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 0.007 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005