./iterations/neb0_image03_iter96.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467013820138 0.236019382633 0.484406612044} O1 1 1
14 {} {0.329417262234 0.236437230378 0.573800676576} Si1 2 1
14 {} {0.58784406524 0.335797863727 0.434473795551} Si2 3 1
8 {} {0.526480511042 0.479640035972 0.386070438219} O2 4 1
8 {} {0.325919363618 0.365419110046 0.674607373097} O3 5 1
14 {} {0.270450583548 0.515407178467 0.711865150016} Si3 6 1
14 {} {0.534409205876 0.644438265238 0.383215089727} Si4 7 1
1 {} {0.329193957026 0.113233249584 0.657422294261} H1 8 1
1 {} {0.212805693445 0.23899077414 0.480774079805} H2 9 1
1 {} {0.653956756808 0.27117333245 0.31897587036} H3 10 1
1 {} {0.682838245952 0.354842397422 0.54724806855} H4 11 1
1 {} {0.121429769539 0.514298032945 0.722911295451} H5 12 1
1 {} {0.335123137589 0.557375284281 0.839265684016} H6 13 1
1 {} {0.399607665182 0.704073465957 0.360164403883} H7 14 1
1 {} {0.621523414827 0.685889051037 0.268501461446} H8 15 1
1 {} {0.593078703178 0.696362942438 0.510543269687} H10 16 1
8 {} {0.318591713983 0.613721907131 0.587256200291} O 17 1
1 {} {0.300402249261 0.709398457581 0.589556233128} 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