./iterations/neb0_image07_iter29.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#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
8 {} {0.469652239849 0.224128033364 0.483657847158} O1 1 1
14 {} {0.332897511885 0.228874267999 0.573959483304} Si1 2 1
14 {} {0.598947704412 0.315889268957 0.439611577076} Si2 3 1
8 {} {0.546857774228 0.46423352914 0.398498107261} O2 4 1
8 {} {0.331903131487 0.362461206086 0.66939076866} O3 5 1
14 {} {0.294453021593 0.520844958464 0.678674749722} Si3 6 1
14 {} {0.500132246678 0.613224190103 0.449029104263} Si4 7 1
1 {} {0.330989778462 0.109527431925 0.662889043814} H1 8 1
1 {} {0.2159903812 0.231536095855 0.48110572556} H2 9 1
1 {} {0.665245519224 0.241035763223 0.327533657489} H3 10 1
1 {} {0.694941392082 0.326715539495 0.554110651046} H4 11 1
1 {} {0.146297399148 0.52410079534 0.692559707625} H5 12 1
1 {} {0.342143677808 0.560860945451 0.812278122933} H6 13 1
1 {} {0.340640066575 0.807245746091 0.417813044089} H7 14 1
1 {} {0.507140956007 0.679593173149 0.317088238961} H8 15 1
1 {} {0.596180878196 0.678491239102 0.536141787901} H10 16 1
8 {} {0.365823526787 0.591529657297 0.547085908612} O 17 1
1 {} {0.32984894706 0.792226124409 0.48963047145} 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