ASE database

Displaying rows 1-25 out of 31
Energy ✕ no_equ_11 ✕ no_equ_20 ✕ Age ✕ no_equ_25 ✕ Magnetic moment ✕ PBC ✕ no_equ_23 ✕ no_equ_1 ✕ no_equ_17 ✕ atom_E ✕ no_equ_3 ✕ no_equ_5 ✕ no_equ_27 ✕ no_equ_9 ✕ no_equ_13 ✕ Mass ✕ no_equ_15 ✕ Maximum stress ✕ no_equ_14 ✕ no_equ_4 ✕ no_equ_16 ✕ no_equ_29 ✕ ads_E ✕ no_equ_22 ✕
-193.113 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - 13M - 0.000 TTT - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - -0.299 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 17285.869 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 0.009 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 - -2.222 -
-193.566 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - 13M - -0.000 TTT - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 -0.039 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 17285.869 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 0.008 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 - -2.934 -
-196.413 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - 13M - 0.000 TTT - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 -0.349 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 17285.869 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.008 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 - -5.472 -
-198.094 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 13M - -0.000 TTT - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 -1.248 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 17285.869 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.008 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 - -6.254 -
-198.315 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 - 13M - -0.000 TTT - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 -3.124 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 17285.869 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.007 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 - -4.599 -
-197.510 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - 13M - 0.000 TTT - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - -1.533 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 17285.869 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.009 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 - -5.385 -
-195.280 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - 13M - -0.000 TTT - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - -0.424 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 17285.869 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 0.009 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - - -4.264 -
-190.598 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 13M ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 -0.000 TTT ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 -0.025 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 17285.869 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 0.009 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 0.020 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005