./iterations/neb0_image02_iter92.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467936185242 0.237502915468 0.478191349202} O1 1 1
14 {} {0.32949165925 0.243238371492 0.566343026772} Si1 2 1
14 {} {0.594223379544 0.331943926151 0.431733532682} Si2 3 1
8 {} {0.540208044418 0.47562974228 0.374727149423} O2 4 1
8 {} {0.330929916303 0.3747839663 0.664760707118} O3 5 1
14 {} {0.264897239939 0.516546970371 0.715166890396} Si3 6 1
14 {} {0.531814507823 0.640027677491 0.378202258547} Si4 7 1
1 {} {0.324728593514 0.120811408795 0.651075090787} H1 8 1
1 {} {0.213492525297 0.249176446974 0.472719922758} H2 9 1
1 {} {0.664679428184 0.260852421126 0.322302722485} H3 10 1
1 {} {0.683277259501 0.354294749766 0.548891523473} H4 11 1
1 {} {0.119448149768 0.495906625187 0.73738751741} H5 12 1
1 {} {0.33801886458 0.558786424295 0.83762879907} H6 13 1
1 {} {0.390979585326 0.682690471609 0.355074164359} H7 14 1
1 {} {0.619037782771 0.696893082651 0.271524612864} H8 15 1
1 {} {0.577641149927 0.69107537368 0.511480832184} H10 16 1
8 {} {0.279500470904 0.634221967942 0.599440115747} O 17 1
1 {} {0.339781366074 0.708135435362 0.614407783437} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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