./iterations/neb0_image04_iter158.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.464320192055 0.247314470307 0.486435786297} O1 1 1
14 {} {0.325277217006 0.230773519909 0.572947031763} Si1 2 1
14 {} {0.58891493595 0.345292982141 0.44306505562} Si2 3 1
8 {} {0.535451964187 0.496330275959 0.412232280272} O2 4 1
8 {} {0.302539054394 0.354339305081 0.677395864485} O3 5 1
14 {} {0.258313703615 0.50916391325 0.70681121126} Si3 6 1
14 {} {0.554353029959 0.660027524642 0.399224283732} Si4 7 1
1 {} {0.337220452629 0.105161952651 0.65209779906} H1 8 1
1 {} {0.215864000295 0.219980436184 0.472932171675} H2 9 1
1 {} {0.647951959251 0.289702141419 0.319126036956} H3 10 1
1 {} {0.69175771337 0.345835088437 0.550679332459} H4 11 1
1 {} {0.111584056263 0.520267964191 0.732741682257} H5 12 1
1 {} {0.342752015163 0.554171428077 0.819699283068} H6 13 1
1 {} {0.423066841765 0.733977783076 0.415827495371} H7 14 1
1 {} {0.606670780457 0.691340751066 0.261795663201} H8 15 1
1 {} {0.648836621634 0.711423621702 0.504810420803} H10 16 1
8 {} {0.301147767011 0.591714854093 0.571341868408} O 17 1
1 {} {0.254063744432 0.665699845653 0.531894788249} 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