ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Charge ✕ Mass ✕ no_equ_26 ✕ Volume ✕ Maximum stress ✕ no_equ_1 ✕ no_equ_13 ✕ str_E ✕ no_equ_15 ✕ no_equ_16 ✕ no_equ_27 ✕ no_equ_5 ✕
1 0.000 17285.869 - 1730.483 0.009 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 -193.113 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 - ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040
2 0.000 17285.869 - 1730.483 0.008 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 -193.566 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 - ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935
3 0.000 17285.869 - 1730.483 0.008 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 -196.413 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 - ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579
4 0.000 17285.869 - 1730.483 0.008 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 -198.094 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 - ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223
5 0.000 17285.869 - 1730.483 0.007 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 -198.315 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 - ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655
6 0.000 17285.869 - 1730.483 0.009 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 -197.510 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 - ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283
7 0.000 17285.869 - 1730.483 0.009 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 -195.280 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - - ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212
8 0.000 17285.869 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 1730.483 0.009 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 -190.598 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014