ASE database

Displaying rows 1-8 out of 8
no_equ_21 ✕ ads_site ✕ Maximum stress ✕ no_equ_29 ✕ Energy ✕ no_equ_30 ✕ no_equ_22 ✕ Username ✕ no_equ_19 ✕ Mass ✕ no_equ_10 ✕ no_equ_2 ✕ no_equ_18 ✕ no_equ_26 ✕ no_equ_11 ✕ no_equ_8 ✕ no_equ_7 ✕ no_equ_5 ✕ no_equ_28 ✕ Dipole_val ✕ Maximum force ✕ Magnetic moment ✕ no_equ_17 ✕ no_equ_3 ✕ no_equ_12 ✕ no_equ_14 ✕
- f 0.009 - -193.113 - - hecc - 17285.869 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 - -2.989 0.009 0.000 - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
- f 0.008 - -193.566 - - hecc - 17285.869 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 - -0.069 0.010 -0.000 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
- f 0.008 - -196.413 - - hecc - 17285.869 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 - 0.558 0.005 0.000 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 f 0.008 - -198.094 - - hecc ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 17285.869 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 - 0.431 0.010 -0.000 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
- f 0.007 - -198.315 - - hecc ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 17285.869 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 - 0.356 0.005 -0.000 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
- f 0.009 - -197.510 - - hecc - 17285.869 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 - 0.473 0.008 0.000 - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
- f 0.009 - -195.280 - - hecc - 17285.869 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 - 0.677 0.006 -0.000 - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 f 0.009 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 -190.598 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 hecc ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 17285.869 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 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:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 -0.049 0.007 -0.000 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008