./iterations/neb0_image04_iter168.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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
8 {} {0.465977049552 0.249177866993 0.487760787203} O1 1 1
14 {} {0.325992679244 0.230438268609 0.571533227239} Si1 2 1
14 {} {0.590305691197 0.345605584504 0.442731707888} Si2 3 1
8 {} {0.539243379853 0.498202545437 0.412295924525} O2 4 1
8 {} {0.298760953326 0.35237336046 0.677175252143} O3 5 1
14 {} {0.256658146245 0.509113930107 0.706495128599} Si3 6 1
14 {} {0.556553977572 0.661395345452 0.398365847685} Si4 7 1
1 {} {0.338491578389 0.106101939752 0.651750733205} H1 8 1
1 {} {0.215168043951 0.219466647264 0.471726473645} H2 9 1
1 {} {0.648460866429 0.290670166819 0.317200161065} H3 10 1
1 {} {0.691795686832 0.344237591268 0.552981355146} H4 11 1
1 {} {0.111019256251 0.518206815762 0.738060742303} H5 12 1
1 {} {0.341993589315 0.55461501789 0.819792141386} H6 13 1
1 {} {0.429714324891 0.732570185902 0.417564966781} H7 14 1
1 {} {0.607502267071 0.691236365768 0.262332942719} H8 15 1
1 {} {0.650618951693 0.710605991386 0.501292131733} H10 16 1
8 {} {0.294932913315 0.59154914621 0.569021308917} O 17 1
1 {} {0.24689669405 0.666951083922 0.532977234435} H14 18 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} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {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