ASE database

no_equ_7 no_equ_15 no_equ_18 no_equ_2 PBC no_equ_20 ads_site no_equ_4 no_equ_3 Maximum stress no_equ_16
ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 TTT - f 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 0.009 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 TTT - f 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 0.008 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 TTT - f 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 0.008 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 TTT ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 f 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 0.008 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 TTT - f 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 0.007 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 TTT - f 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 0.009 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 TTT - f 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 0.009 -
ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 TTT ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 f 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 0.009 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006