./neb0_image07.sci output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
#MD System 2.0
@Title neb0_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.218459306611 0.5262877884 0.331447187814} C1 1 1
14 {} {0.272359799723 0.48925803029 0.289603220759} Si1 2 1
14 {} {0.171787274694 0.534780019842 0.250522027531} Si2 3 1
8 {} {0.284947516079 0.52211559026 0.191660348843} O1 4 1
8 {} {0.312114280533 0.509852166991 0.360606761224} O2 5 1
6 {} {0.270438766581 0.396064126246 0.282738292146} C2 6 1
6 {} {0.140240933524 0.455045400817 0.232743767623} C3 7 1
8 {} {0.196249430774 0.560808662838 0.15629913795} O3 8 1
8 {} {0.136395920301 0.5958002618 0.277637839909} O4 9 1
14 {} {0.363620828448 0.538633664872 0.365465919187} Si3 10 1
7 {} {0.397750185528 0.47485711009 0.407164876384} N1 11 1
14 {} {0.451406680848 0.473349940388 0.362934924399} Si4 12 1
14 {} {0.377919098458 0.420862813357 0.490681295605} Si5 13 1
7 {} {0.348922341476 0.459107454999 0.576071440063} N2 14 1
7 {} {0.468765243009 0.555845833411 0.362497816356} N3 15 1
1 {} {0.206855539906 0.497671424477 0.389926232617} H1 16 1
1 {} {0.226348357286 0.577110428594 0.355604044467} H2 17 1
1 {} {0.259469889092 0.542487609388 0.1610145864} H3 18 1
1 {} {0.265267538659 0.373025505265 0.348546772478} H4 19 1
1 {} {0.302156462439 0.377028608362 0.255964207028} H5 20 1
1 {} {0.243668372007 0.379035926952 0.238003756389} H6 21 1
1 {} {0.113724622009 0.461258650413 0.182707357746} H7 22 1
1 {} {0.124699202283 0.437356697301 0.294952852887} H8 23 1
1 {} {0.162628709455 0.41519986318 0.209177820702} H9 24 1
1 {} {0.177704081489 0.583751155746 0.112971655863} H10 25 1
1 {} {0.108000596276 0.583351560504 0.303646327243} H11 26 1
1 {} {0.380104459548 0.558385461541 0.275679327821} H12 27 1
1 {} {0.362814385052 0.597349676501 0.426916421072} H13 28 1
1 {} {0.477015737882 0.423347076052 0.41781385264} H14 29 1
1 {} {0.454648123417 0.453703412726 0.266486139677} H15 30 1
1 {} {0.346620061009 0.371889151531 0.450058098665} H16 31 1
1 {} {0.417737642423 0.387110668354 0.529355586451} H17 32 1
1 {} {0.317375837146 0.475694874476 0.564620031032} H18 33 1
1 {} {0.365040103279 0.48967298588 0.619737278873} H19 34 1
1 {} {0.495910580389 0.567041361021 0.324228119304} H20 35 1
1 {} {0.472154329257 0.577120736378 0.423859707238} H21 36 1
6 {} {0.643407308735 0.640434951676 0.481160949893} C4 37 1
14 {} {0.604340914263 0.576671471625 0.435390917971} Si6 38 1
14 {} {0.639554313572 0.726619902364 0.436101705946} Si7 39 1
8 {} {0.599088566081 0.584449232469 0.325629768653} O5 40 1
8 {} {0.622546817927 0.500865760842 0.457440705248} O6 41 1
6 {} {0.548887592877 0.582820554444 0.489648785838} C5 42 1
6 {} {0.59181096708 0.776619548871 0.481070522352} C6 43 1
8 {} {0.635051097132 0.71537827555 0.325756797794} O7 44 1
8 {} {0.687056507591 0.767942161911 0.451809271197} O8 45 1
14 {} {0.632653962929 0.422745820636 0.429587084029} Si8 46 1
7 {} {0.587240403289 0.370979778755 0.448085945698} N4 47 1
14 {} {0.567664057824 0.321556647173 0.359119468593} Si9 48 1
14 {} {0.562527473717 0.367486716244 0.554239896316} Si10 49 1
7 {} {0.5979581615 0.386337112636 0.640834842738} N5 50 1
7 {} {0.602600632544 0.258770159736 0.321613091023} N6 51 1
1 {} {0.637797123337 0.641002479866 0.553859407716} H22 52 1
1 {} {0.677336801722 0.621571911492 0.468955264808} H23 53 1
1 {} {0.611875094752 0.626030206336 0.302016252239} H24 54 1
1 {} {0.548180516704 0.574265559032 0.562076616282} H25 55 1
1 {} {0.530615043059 0.541666608343 0.457778036017} H26 56 1
1 {} {0.532146278637 0.630935626367 0.473814520162} H27 57 1
1 {} {0.591071170442 0.827031712499 0.45163191724} H28 58 1
1 {} {0.593850715774 0.782222540048 0.553993811839} H29 59 1
1 {} {0.559703539974 0.752577244341 0.465889772489} H30 60 1
1 {} {0.64306311135 0.752755822607 0.287803831347} H31 61 1
1 {} {0.687340947288 0.802768534649 0.496599618316} H32 62 1
1 {} {0.644077485975 0.418103072358 0.332966201227} H33 63 1
1 {} {0.671844965932 0.402775897915 0.484611631294} H34 64 1
1 {} {0.525974233152 0.289721048345 0.392224967146} H35 65 1
1 {} {0.559528248787 0.364577365945 0.279842101438} H36 66 1
1 {} {0.525486500058 0.416988796157 0.561408901428} H37 67 1
1 {} {0.545366982606 0.298117464577 0.56608916421} H38 68 1
1 {} {0.604275601832 0.434998097699 0.656333886959} H39 69 1
1 {} {0.624942615231 0.357135503783 0.654529256235} H40 70 1
1 {} {0.627284709949 0.27003102155 0.277620953007} H41 71 1
1 {} {0.612205151417 0.221086638844 0.362927216595} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}}
@end
@Columns AsymmetricBond
Atom1 reference AsymmetricAtom
Atom2 reference AsymmetricAtom
Key int 0
Order int 0
@end
@data
56 41 0 0
50 47 0 0
2 0 0 0
58 42 0 0
44 38 0 0
70 50 0 0
69 49 0 0
34 14 0 0
48 46 0 0
52 36 0 0
6 2 0 0
49 48 0 0
62 45 0 0
21 6 0 0
7 2 0 0
22 6 0 0
8 2 0 0
27 9 0 0
33 13 0 0
37 36 0 0
23 6 0 0
59 42 0 0
12 10 0 0
54 41 0 0
51 36 0 0
61 44 0 0
16 0 0 0
19 5 0 0
20 5 0 0
13 12 0 0
1 0 0 0
43 38 0 0
10 9 0 0
68 49 0 0
53 39 0 0
3 1 0 0
47 46 0 0
60 43 0 0
4 1 0 0
18 5 0 0
5 1 0 0
67 48 0 0
26 9 0 0
32 13 0 0
46 45 0 0
17 3 0 0
11 10 0 0
9 4 0 0
15 0 0 0
25 8 0 0
31 12 0 0
42 38 0 0
64 47 0 0
24 7 0 0
29 11 0 0
40 37 0 0
39 37 0 0
41 37 0 0
66 48 0 0
57 42 0 0
38 36 0 0
65 47 0 0
30 12 0 0
28 11 0 0
71 50 0 0
45 40 0 0
35 14 0 0
55 41 0 0
14 11 0 0
63 45 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 56 41 {0 0 0} 0
1 47 50 {0 0 0} 0
2 0 2 {0 0 0} 0
3 58 42 {0 0 0} 0
4 38 44 {0 0 0} 0
5 50 70 {0 0 0} 0
6 49 69 {0 0 0} 0
7 14 34 {0 0 0} 0
8 46 48 {0 0 0} 0
9 36 52 {0 0 0} 0
10 2 6 {0 0 0} 0
11 48 49 {0 0 0} 0
12 45 62 {0 0 0} 0
13 21 6 {0 0 0} 0
14 7 2 {0 0 0} 0
15 22 6 {0 0 0} 0
16 8 2 {0 0 0} 0
17 9 27 {0 0 0} 0
18 13 33 {0 0 0} 0
19 36 37 {0 0 0} 0
20 23 6 {0 0 0} 0
21 59 42 {0 0 0} 0
22 10 12 {0 0 0} 0
23 41 54 {0 0 0} 0
24 51 36 {0 0 0} 0
25 44 61 {0 0 0} 0
26 0 16 {0 0 0} 0
27 5 19 {0 0 0} 0
28 5 20 {0 0 0} 0
29 12 13 {0 0 0} 0
30 0 1 {0 0 0} 0
31 38 43 {0 0 0} 0
32 10 9 {0 0 0} 0
33 49 68 {0 0 0} 0
34 39 53 {0 0 0} 0
35 3 1 {0 0 0} 0
36 46 47 {0 0 0} 0
37 43 60 {0 0 0} 0
38 4 1 {0 0 0} 0
39 18 5 {0 0 0} 0
40 1 5 {0 0 0} 0
41 48 67 {0 0 0} 0
42 9 26 {0 0 0} 0
43 13 32 {0 0 0} 0
44 45 46 {0 0 0} 0
45 3 17 {0 0 0} 0
46 10 11 {0 0 0} 0
47 4 9 {0 0 0} 0
48 15 0 {0 0 0} 0
49 8 25 {0 0 0} 0
50 12 31 {0 0 0} 0
51 38 42 {0 0 0} 0
52 64 47 {0 0 0} 0
53 7 24 {0 0 0} 0
54 11 29 {0 0 0} 0
55 40 37 {0 0 0} 0
56 39 37 {0 0 0} 0
57 37 41 {0 0 0} 0
58 66 48 {0 0 0} 0
59 42 57 {0 0 0} 0
60 38 36 {0 0 0} 0
61 65 47 {0 0 0} 0
62 30 12 {0 0 0} 0
63 28 11 {0 0 0} 0
64 50 71 {0 0 0} 0
65 45 40 {0 0 0} 0
66 14 35 {0 0 0} 0
67 55 41 {0 0 0} 0
68 11 14 {0 0 0} 0
69 63 45 {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