ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Energy ✕ str_E ✕ Volume ✕ slab_E ✕ no_equ_28 ✕ no_equ_29 ✕ PBC ✕ Maximum stress ✕ no_equ_5 ✕ Username ✕ no_equ_16 ✕ distance ✕ no_equ_12 ✕ no_equ_10 ✕
1 -193.113 -193.113 1730.483 -190.592 - - TTT 0.009 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 hecc ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 1.865 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
2 -193.566 -193.566 1730.483 -190.592 - - TTT 0.008 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 hecc ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 1.012 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
3 -196.413 -196.413 1730.483 -190.592 - - TTT 0.008 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 hecc ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 0.409 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
4 -198.094 -198.094 1730.483 -190.592 - - TTT 0.008 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 hecc ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 0.260 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
5 -198.315 -198.315 1730.483 -190.592 - - TTT 0.007 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 hecc ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 0.399 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
6 -197.510 -197.510 1730.483 -190.592 - - TTT 0.009 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 hecc ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 0.772 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
7 -195.280 -195.280 1730.483 -190.592 - - TTT 0.009 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 hecc - 1.238 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8 -190.598 -190.598 1730.483 -190.592 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 TTT 0.009 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 hecc ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 3.861 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014