./iterations/neb0_image01_iter27.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467911099026 0.242025505952 0.471842233436} O1 1 1
14 {} {0.328540643923 0.2497343089 0.558061797034} Si1 2 1
14 {} {0.599870578155 0.331181549355 0.431149430235} Si2 3 1
8 {} {0.553303040609 0.475861260167 0.367878824416} O2 4 1
8 {} {0.333201858662 0.379040701071 0.658817701494} O3 5 1
14 {} {0.267483376471 0.515524268332 0.725005631214} Si3 6 1
14 {} {0.528875808437 0.639398313045 0.372423936079} Si4 7 1
1 {} {0.317855251385 0.124995998053 0.639272324693} H1 8 1
1 {} {0.21396658412 0.261406785793 0.46298251161} H2 9 1
1 {} {0.673324243892 0.251257717008 0.329765139325} H3 10 1
1 {} {0.684462801878 0.350447716617 0.552617091211} H4 11 1
1 {} {0.122868748221 0.49128007884 0.745674125807} H5 12 1
1 {} {0.341451220683 0.535562627454 0.853007875621} H6 13 1
1 {} {0.388421272358 0.677463463612 0.342749248497} H7 14 1
1 {} {0.615279060152 0.704908026054 0.269709256484} H8 15 1
1 {} {0.56039762248 0.68842528117 0.510588375427} H10 16 1
8 {} {0.270621908044 0.645382255703 0.622549185807} O 17 1
1 {} {0.342251016575 0.708622090773 0.616963300157} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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