ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ atom_E ✕ no_equ_30 ✕ no_equ_6 ✕ Mass ✕ no_equ_1 ✕ no_equ_31 ✕ Maximum stress ✕ no_equ_26 ✕ no_equ_11 ✕ no_equ_16 ✕ Energy ✕ no_equ_9 ✕ no_equ_20 ✕ no_equ_21 ✕ no_equ_18 ✕
1 -0.299 - ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 17285.869 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - 0.009 - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -193.113 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 - - -
2 -0.039 - ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 17285.869 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - 0.008 - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -193.566 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 - - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3 -0.349 - ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 17285.869 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - 0.008 - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -196.413 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 - - -
4 -1.248 - ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 17285.869 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - 0.008 - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -198.094 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5 -3.124 - ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 17285.869 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - 0.007 - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -198.315 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 - - ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6 -1.533 - ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 17285.869 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - 0.009 - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -197.510 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 - - -
7 -0.424 - ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 17285.869 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - 0.009 - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - -195.280 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 - - -
8 -0.025 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 17285.869 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 0.009 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:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -190.598 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005