iterations/neb0_image07_iter173.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 {} {0.471343258616 0.240661575114 0.493699769201} O1 1 1
14 {} {0.332317169288 0.22217774883 0.579335144096} Si1 2 1
14 {} {0.616298998214 0.304136727141 0.45151148701} Si2 3 1
8 {} {0.59925006 0.464175835066 0.418644759128} O2 4 1
8 {} {0.304214535192 0.347785749349 0.682775257706} O3 5 1
14 {} {0.290943519932 0.510313211532 0.65544602904} Si3 6 1
14 {} {0.496054182564 0.591445366051 0.437551259269} Si4 7 1
1 {} {0.344429485986 0.100095213167 0.662615104706} H1 8 1
1 {} {0.222125393674 0.213245502287 0.479378843997} H2 9 1
1 {} {0.664310181061 0.237035412911 0.328031587173} H3 10 1
1 {} {0.712673388056 0.282409792254 0.563767974313} H4 11 1
1 {} {0.147864212838 0.548922408558 0.656809740942} H5 12 1
1 {} {0.368786320017 0.584225873378 0.757739079314} H6 13 1
1 {} {0.347655653758 0.900434658703 0.495973621581} H7 14 1
1 {} {0.459807593109 0.648965825457 0.305175980264} H8 15 1
1 {} {0.562253567734 0.691529773152 0.526187623717} H10 16 1
8 {} {0.353309616544 0.543901633227 0.507414029685} O 17 1
1 {} {0.316448842059 0.84105550767 0.52900053682} 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