./neb0_image08.sci output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image08
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
Spin double 0.0
WyckoffPosition int -1
@end
@data
14 {} {0.8494498565 0.307692997302 0.0630083800136} Si1 1 0.0 1
14 {} {0.849753575621 0.385223790017 0.444676493572} Si2 2 0.0 1
14 {} {0.0994705870993 0.307485518451 0.193058309489} Si3 3 0.0 1
14 {} {0.0997309377108 0.383501040404 0.318642027467} Si4 4 0.0 1
14 {} {0.860118354106 0.541682354161 0.438997752048} Si5 5 0.0 1
14 {} {0.106792866241 0.538430701958 0.306311138538} Si6 6 0.0 1
14 {} {0.851627512563 0.458641273119 0.0653813831514} Si7 7 0.0 1
14 {} {0.845569880518 0.229678519808 0.442219982905} Si8 8 0.0 1
14 {} {0.100920370588 0.458737211148 0.194234283502} Si9 9 0.0 1
14 {} {0.0954729287216 0.228968211562 0.31385244928} Si10 10 0.0 1
8 {} {0.36318693006 0.595303145765 0.51741171653} O1 11 0.0 1
14 {} {0.353828598305 0.662200068068 0.516602541758} Si11 12 0.0 1
8 {} {0.111409311313 0.589706602137 0.209047477705} O2 13 0.0 1
1 {} {0.0109356143821 0.593657838496 0.149181733154} H1 14 0.0 1
8 {} {0.334594612422 0.178574050337 0.540842056592} O3 15 0.0 1
1 {} {0.933579653055 0.175048428167 0.601180753595} H2 16 0.0 1
8 {} {0.0844281180798 0.177275525155 0.216024355623} O4 17 0.0 1
1 {} {0.183337768812 0.173678320632 0.155811323906} H3 18 0.0 1
14 {} {0.849680359107 0.307972697398 0.565027703816} Si12 19 0.0 1
14 {} {0.850505555141 0.384148358052 0.938366672588} Si13 20 0.0 1
14 {} {0.0998855316547 0.309215767672 0.693973481932} Si14 21 0.0 1
14 {} {0.10039535115 0.387766079706 0.811950209169} Si15 22 0.0 1
14 {} {0.850788426183 0.537633720181 0.950822966342} Si16 23 0.0 1
14 {} {0.102765447379 0.543051933551 0.823502461831} Si17 24 0.0 1
14 {} {0.850812481455 0.464068714836 0.561839012582} Si18 25 0.0 1
14 {} {0.845675964846 0.228989781032 0.942660159418} Si19 26 0.0 1
14 {} {0.100341424716 0.466845400641 0.692308254291} Si20 27 0.0 1
14 {} {0.0958819670091 0.230195474378 0.814778775639} Si21 28 0.0 1
8 {} {0.364348101036 0.58876736855 0.0478970830843} O5 29 0.0 1
1 {} {0.263102833604 0.59429466355 0.106359773892} H4 30 0.0 1
8 {} {0.128293642271 0.602963043105 0.776083345056} O6 31 0.0 1
1 {} {0.0912648507907 0.62347572286 0.702804620433} H5 32 0.0 1
8 {} {0.334447920754 0.177378348004 0.0410779832176} O7 33 0.0 1
1 {} {0.933534880499 0.173778666617 0.101008174742} H6 34 0.0 1
8 {} {0.0846444022825 0.179515062883 0.714138077147} O8 35 0.0 1
1 {} {0.184145841456 0.17574609975 0.654312038177} H7 36 0.0 1
14 {} {0.349261059167 0.307518035996 0.062902518483} Si22 37 0.0 1
14 {} {0.349675902904 0.386142973887 0.44466328032} Si23 38 0.0 1
14 {} {0.599165947221 0.307844461249 0.193052836333} Si24 39 0.0 1
14 {} {0.599847960155 0.383892057345 0.318671273101} Si25 40 0.0 1
14 {} {0.358129805295 0.542371782469 0.435266992255} Si26 41 0.0 1
14 {} {0.609857758236 0.539428373797 0.307779280509} Si27 42 0.0 1
14 {} {0.352236107934 0.458133278423 0.0680538654671} Si28 43 0.0 1
14 {} {0.345447674789 0.229921544719 0.442038236056} Si29 44 0.0 1
14 {} {0.603563812834 0.459350150343 0.194830130144} Si30 45 0.0 1
14 {} {0.59551693167 0.22926815902 0.313879721638} Si31 46 0.0 1
8 {} {0.870537576943 0.591255975535 0.535751962982} O9 47 0.0 1
1 {} {0.94036251052 0.623463834998 0.520471123557} H8 48 0.0 1
8 {} {0.616420972296 0.590751392392 0.21080230671} O10 49 0.0 1
1 {} {0.514204483653 0.594993945993 0.152609336057} H9 50 0.0 1
8 {} {0.834421056712 0.178291050637 0.540933295697} O11 51 0.0 1
1 {} {0.433904864674 0.174856494519 0.600748484642} H10 52 0.0 1
8 {} {0.584661175535 0.17762100133 0.215869309688} O12 53 0.0 1
1 {} {0.683612117179 0.174023212885 0.155684763058} H11 54 0.0 1
14 {} {0.349215157163 0.30845905075 0.564277876204} Si32 55 0.0 1
14 {} {0.349908408918 0.384142997143 0.939178440111} Si33 56 0.0 1
14 {} {0.599029801736 0.308456844649 0.693548030692} Si34 57 0.0 1
14 {} {0.599845499674 0.386521282977 0.812500514866} Si35 58 0.0 1
14 {} {0.351672000014 0.536560591479 0.953876565313} Si36 59 0.0 1
14 {} {0.598652845377 0.540956232719 0.821788828026} Si37 60 0.0 1
14 {} {0.35031843951 0.465374788111 0.561665532644} Si38 61 0.0 1
14 {} {0.345762278566 0.228874467612 0.942738775048} Si39 62 0.0 1
14 {} {0.600216161264 0.464931049666 0.691960518248} Si40 63 0.0 1
14 {} {0.595565234714 0.229655988698 0.814592411451} Si41 64 0.0 1
8 {} {0.860786919463 0.589866946055 0.0450807628925} O13 65 0.0 1
1 {} {0.76104091732 0.594747556554 0.105564851655} H12 66 0.0 1
8 {} {0.593712390424 0.596491984473 0.746421272418} O14 67 0.0 1
14 {} {0.587256861365 0.661907912107 0.747797626264} Si42 68 0.0 1
8 {} {0.834627458251 0.177406246085 0.0408108807464} O15 69 0.0 1
1 {} {0.433477906387 0.173877508543 0.101227947504} H13 70 0.0 1
8 {} {0.584682129548 0.178772351405 0.714508805983} O16 71 0.0 1
1 {} {0.683980261345 0.17524874941 0.654429192159} H14 72 0.0 1
7 {} {0.434694291331 0.688428623682 0.653930102935} N 73 0.0 1
1 {} {0.430110423473 0.754469401907 0.661470984387} H16 74 0.0 1
9 {} {0.780843170627 0.680539212505 0.716209768914} F4 75 0.0 1
9 {} {0.276000183067 0.68180999732 0.385268734596} F5 76 0.0 1
9 {} {0.552267964423 0.678007625901 0.888046252047} F3 77 0.0 1
9 {} {0.141055641669 0.661907081106 0.573287855111} F1 78 0.0 1
9 {} {0.435623736038 0.793083513208 0.659851807054} F2 79 0.0 1
9 {} {0.560146484373 0.673516079154 0.464813332125} F6 80 0.0 1
@end
@Columns Cell
Constraints string {a b c A B G}
Origin int {{0 0 0}}
Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}}
PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
SpaceGroup string P1
SpaceGroupNumber int 1
ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}}
@end
@Columns AsymmetricBond
Atom1 reference AsymmetricAtom
Atom2 reference AsymmetricAtom
Key int 0
Order int 0
@end
@data
70 63 0 0
79 11 0 0
45 38 0 0
21 19 0 0
78 73 0 0
3 1 0 0
27 20 0 0
56 54 0 0
37 3 0 0
60 26 0 1
62 24 0 1
17 16 0 0
54 43 0 0
45 43 0 0
27 25 0 0
26 21 0 0
40 10 0 0
44 6 0 1
77 11 0 0
61 36 0 0
38 0 0 0
2 0 0 0
57 19 0 0
13 12 0 0
25 0 0 0
47 46 0 0
75 11 0 0
62 60 0 1
24 1 0 0
18 7 0 0
54 37 0 0
29 28 0 0
57 56 0 0
56 18 0 0
58 28 0 0
42 8 0 0
39 38 0 0
67 66 0 0
66 59 0 0
3 2 0 0
57 55 0 0
19 0 0 0
61 27 0 0
63 25 0 0
49 48 0 0
54 20 0 0
68 33 0 0
44 39 0 0
62 57 0 0
68 25 0 0
8 6 0 0
53 52 0 0
52 45 0 0
45 7 0 0
72 11 0 0
50 7 0 0
72 67 0 0
35 34 0 0
48 41 0 0
11 10 0 0
8 5 0 0
39 1 0 0
61 32 0 0
51 14 0 0
50 15 0 0
21 20 0 0
63 61 0 0
55 42 0 0
38 36 0 0
31 30 0 0
26 24 0 1
65 64 0 0
43 9 0 0
76 67 0 0
18 1 0 0
8 3 0 0
9 7 0 0
55 21 0 0
19 6 0 0
44 42 0 1
36 2 0 0
63 56 0 0
71 70 0 0
16 9 0 0
9 2 0 0
69 32 0 0
39 37 0 0
64 22 0 0
34 27 0 0
20 18 0 0
55 36 0 0
43 14 0 0
46 4 0 0
30 23 0 0
60 37 0 0
12 5 0 0
74 67 0 0
@end
@Columns Bond
AsymmetricBond reference AsymmetricBond
Atom1 reference Atom
Atom2 reference Atom
CellOffset2 int {{0 0 0}}
Key int 0
@end
@data
0 70 63 {0 0 0} 0
1 11 79 {0 0 0} 0
2 45 38 {0 0 0} 0
3 19 21 {1 0 0} 0
4 73 78 {0 0 0} 0
5 3 1 {-1 0 0} 0
6 20 27 {0 0 0} 0
7 56 54 {0 0 0} 0
8 3 37 {0 0 0} 0
9 26 60 {0 0 0} 0
10 62 24 {0 0 0} 0
11 17 16 {0 0 0} 0
12 54 43 {0 0 0} 0
13 43 45 {0 0 0} 0
14 25 27 {1 0 0} 0
15 26 21 {0 0 0} 0
16 40 10 {0 0 0} 0
17 44 6 {0 0 0} 0
18 11 77 {0 0 0} 0
19 61 36 {0 0 1} 0
20 0 38 {0 0 0} 0
21 0 2 {1 0 0} 0
22 57 19 {0 0 0} 0
23 13 12 {0 0 0} 0
24 25 0 {0 0 1} 0
25 47 46 {0 0 0} 0
26 75 11 {0 0 0} 0
27 62 60 {0 0 0} 0
28 1 24 {0 0 0} 0
29 7 18 {0 0 0} 0
30 37 54 {0 0 0} 0
31 28 29 {0 0 0} 0
32 57 56 {0 0 0} 0
33 18 56 {0 0 0} 0
34 28 58 {0 0 -1} 0
35 8 42 {0 0 0} 0
36 38 39 {0 0 0} 0
37 67 66 {0 0 0} 0
38 59 66 {0 0 0} 0
39 3 2 {0 0 0} 0
40 57 55 {0 0 0} 0
41 0 19 {0 0 -1} 0
42 27 61 {0 0 0} 0
43 63 25 {0 0 0} 0
44 48 49 {0 0 0} 0
45 54 20 {0 0 0} 0
46 33 68 {0 0 0} 0
47 39 44 {0 0 0} 0
48 62 57 {0 0 0} 0
49 25 68 {0 0 1} 0
50 6 8 {1 0 0} 0
51 53 52 {0 0 0} 0
52 45 52 {0 0 0} 0
53 45 7 {0 0 0} 0
54 72 11 {0 0 0} 0
55 50 7 {0 0 0} 0
56 72 67 {0 0 0} 0
57 34 35 {0 0 0} 0
58 41 48 {0 0 0} 0
59 10 11 {0 0 0} 0
60 8 5 {0 0 0} 0
61 1 39 {0 0 0} 0
62 61 32 {0 0 1} 0
63 14 51 {0 0 0} 0
64 50 15 {0 0 0} 0
65 20 21 {0 0 0} 0
66 63 61 {0 0 0} 0
67 55 42 {0 0 1} 0
68 38 36 {0 0 0} 0
69 30 31 {0 0 0} 0
70 26 24 {-1 0 0} 0
71 64 65 {0 0 0} 0
72 9 43 {0 0 0} 0
73 76 67 {0 0 0} 0
74 1 18 {0 0 0} 0
75 8 3 {0 0 0} 0
76 7 9 {1 0 0} 0
77 55 21 {0 0 0} 0
78 19 6 {0 0 1} 0
79 44 42 {0 0 0} 0
80 36 2 {0 0 0} 0
81 56 63 {0 0 0} 0
82 70 71 {0 0 0} 0
83 16 9 {0 0 0} 0
84 2 9 {0 0 0} 0
85 69 32 {0 0 0} 0
86 39 37 {0 0 0} 0
87 22 64 {0 0 1} 0
88 27 34 {0 0 0} 0
89 20 18 {-1 0 0} 0
90 55 36 {0 0 1} 0
91 43 14 {0 0 0} 0
92 46 4 {0 0 0} 0
93 23 30 {0 0 0} 0
94 60 37 {0 0 0} 0
95 12 5 {0 0 0} 0
96 67 74 {0 0 0} 0
@end
@Columns Subset
Color string {{#65d9f0}}
Criteria string {{}}
DisplayLine int 0
IeqJ int 1
IgtJ int 0
IltJ int 0
Length int 1
Name string {{}}
Table string {{}}
Type string atom
UseColor int 0
@end
@data
@end