./iterations/neb0_image04_iter234.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 {} {0.465167854467 0.260411751673 0.490553756933} O1 1 1
14 {} {0.325004798218 0.229524985986 0.569541288687} Si1 2 1
14 {} {0.595611806255 0.348537917727 0.44697366354} Si2 3 1
8 {} {0.552434490446 0.503978488718 0.424775269552} O2 4 1
8 {} {0.288058372658 0.346979309169 0.677219566769} O3 5 1
14 {} {0.245563320572 0.503338893396 0.702682377889} Si3 6 1
14 {} {0.575623029698 0.665232774552 0.399667117651} Si4 7 1
1 {} {0.34278742628 0.103031344264 0.646153465939} H1 8 1
1 {} {0.217229486756 0.214895105794 0.467863374609} H2 9 1
1 {} {0.646938531341 0.290806926724 0.32057016232} H3 10 1
1 {} {0.698926809251 0.342907362809 0.553137141634} H4 11 1
1 {} {0.106170080313 0.513566578133 0.753241616699} H5 12 1
1 {} {0.34492162254 0.559054134137 0.798896054203} H6 13 1
1 {} {0.448341578759 0.737298901568 0.43152386514} H7 14 1
1 {} {0.615078735128 0.690902910983 0.257719809568} H8 15 1
1 {} {0.686694645836 0.716002176639 0.487200515781} H10 16 1
8 {} {0.252685126902 0.581656681912 0.556345294413} O 17 1
1 {} {0.20284826024 0.664391593437 0.546993863274} 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