./iterations/neb0_image02_iter19.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 {} {0.468729109023 0.238102354325 0.474391172021} O1 1 1
14 {} {0.329054446589 0.246206859685 0.561724904085} Si1 2 1
14 {} {0.599999918622 0.329913110795 0.431984765027} Si2 3 1
8 {} {0.551826196903 0.476180876366 0.372023199953} O2 4 1
8 {} {0.332353117582 0.376483307177 0.660263052203} O3 5 1
14 {} {0.270501962575 0.517012184995 0.71979723647} Si3 6 1
14 {} {0.523409751557 0.639286184596 0.378187772092} Si4 7 1
1 {} {0.320638723403 0.122215599716 0.645278398029} H1 8 1
1 {} {0.21368296701 0.255108830702 0.466267426906} H2 9 1
1 {} {0.672196574795 0.246903586474 0.329296132194} H3 10 1
1 {} {0.6875235853 0.344262156928 0.554161648898} H4 11 1
1 {} {0.124120975261 0.495486929551 0.736322002352} H5 12 1
1 {} {0.342543440244 0.538911376728 0.850069455144} H6 13 1
1 {} {0.387074341445 0.696223604581 0.352298388488} H7 14 1
1 {} {0.603215318742 0.701696712145 0.272005224979} H8 15 1
1 {} {0.564921586508 0.685141264373 0.513147377127} H10 16 1
8 {} {0.283051990837 0.63777935206 0.6096770346} O 17 1
1 {} {0.335242136102 0.725603674383 0.604162796824} 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