./iterations/neb0_image04_iter149.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 {} {0.464039570764 0.246457484078 0.486121990677} O1 1 1
14 {} {0.326302452408 0.229334106354 0.573205444403} Si1 2 1
14 {} {0.587416646722 0.34414612096 0.442777556593} Si2 3 1
8 {} {0.532627861794 0.496507589078 0.411682803848} O2 4 1
8 {} {0.306390354579 0.353041505352 0.677908271685} O3 5 1
14 {} {0.261451554812 0.509881528532 0.705609645791} Si3 6 1
14 {} {0.548147378025 0.66132053133 0.401540445004} Si4 7 1
1 {} {0.335383246365 0.104372527863 0.652646457914} H1 8 1
1 {} {0.21486377966 0.221829657416 0.475183116254} H2 9 1
1 {} {0.647388225212 0.286266644679 0.320557304961} H3 10 1
1 {} {0.691455506691 0.347853874301 0.549521006736} H4 11 1
1 {} {0.113848940859 0.522425396231 0.725884083582} H5 12 1
1 {} {0.343037079753 0.554615437065 0.820918757577} H6 13 1
1 {} {0.42048299083 0.733412995425 0.411670926142} H7 14 1
1 {} {0.604065476187 0.690459246969 0.263249058321} H8 15 1
1 {} {0.643622741444 0.709927831685 0.506887412368} H10 16 1
8 {} {0.308599255179 0.593352284772 0.57306258703} O 17 1
1 {} {0.26096299478 0.667313103462 0.532631170161} 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