./iterations/neb0_image04_iter189.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 {} {0.466009372284 0.253204660519 0.488587069588} O1 1 1
14 {} {0.32624208219 0.22959183943 0.570548918556} Si1 2 1
14 {} {0.592521774692 0.346366528597 0.44317835787} Si2 3 1
8 {} {0.543237977944 0.499471587361 0.415723458992} O2 4 1
8 {} {0.293666504925 0.350181302684 0.676517211944} O3 5 1
14 {} {0.254129527537 0.507001679131 0.704721615146} Si3 6 1
14 {} {0.562748371859 0.662441863732 0.398772392865} Si4 7 1
1 {} {0.33992827992 0.105291208559 0.650796371904} H1 8 1
1 {} {0.215476377223 0.218999775836 0.4713988684} H2 9 1
1 {} {0.647888496054 0.291201240891 0.316372722382} H3 10 1
1 {} {0.692620131871 0.344845235699 0.553997232758} H4 11 1
1 {} {0.111218431466 0.517110525814 0.743337142902} H5 12 1
1 {} {0.340649469023 0.555872725945 0.815034489455} H6 13 1
1 {} {0.432930630351 0.7327060942 0.420538226851} H7 14 1
1 {} {0.609691269612 0.691357707963 0.259589272045} H8 15 1
1 {} {0.662217805548 0.711970562058 0.499377207849} H10 16 1
8 {} {0.285178237018 0.588962473965 0.565234156846} O 17 1
1 {} {0.233731294793 0.665940850129 0.53733337996} 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