./iterations/neb0_image09_iter136.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472215597112 0.215147053344 0.494290547829} O1 1 1
14 {} {0.334559857635 0.216118968603 0.584504301413} Si1 2 1
14 {} {0.603983155923 0.299179724443 0.444411836169} Si2 3 1
8 {} {0.563819703168 0.452618941665 0.400148753982} O2 4 1
8 {} {0.326268658894 0.35168602385 0.677467682666} O3 5 1
14 {} {0.297895547439 0.514005888058 0.671378794501} Si3 6 1
14 {} {0.50861701141 0.598424932839 0.451626872805} Si4 7 1
1 {} {0.337971067596 0.0991805240979 0.67562941321} H1 8 1
1 {} {0.217758328202 0.211252586579 0.492066080973} H2 9 1
1 {} {0.659088576326 0.230233582203 0.325334031865} H3 10 1
1 {} {0.702677638892 0.306157919216 0.555856031027} H4 11 1
1 {} {0.152190865194 0.539667753623 0.656683302422} H5 12 1
1 {} {0.352969608086 0.572683305388 0.796382921629} H6 13 1
1 {} {0.321701272898 0.889019481921 0.418128995311} H7 14 1
1 {} {0.474331359451 0.677533102727 0.33117506904} H8 15 1
1 {} {0.612785076533 0.664733539135 0.535522739945} H10 16 1
8 {} {0.37152513739 0.58138663899 0.54104252114} O 17 1
1 {} {0.299727676921 0.853487992676 0.47940801498} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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