./iterations/neb0_image09_iter10.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47143282683 0.215294004689 0.496170528523} O1 1 1
14 {} {0.336410175107 0.215814186107 0.587598783605} Si1 2 1
14 {} {0.60413601335 0.297938634025 0.444208686225} Si2 3 1
8 {} {0.562943797185 0.450106653012 0.398084172978} O2 4 1
8 {} {0.326727377226 0.356752970608 0.676049208519} O3 5 1
14 {} {0.294203482331 0.516878592743 0.67017239994} Si3 6 1
14 {} {0.504492001 0.597358131303 0.448004454617} Si4 7 1
1 {} {0.343292014804 0.105712782859 0.685844528176} H1 8 1
1 {} {0.218226796087 0.206047726113 0.498247171696} H2 9 1
1 {} {0.658266310605 0.22603010379 0.32610786309} H3 10 1
1 {} {0.703742955058 0.305474859388 0.555166094061} H4 11 1
1 {} {0.143877001003 0.53140786094 0.662655744905} H5 12 1
1 {} {0.345983782184 0.571887465089 0.800693650189} H6 13 1
1 {} {0.321328122515 0.887624476085 0.413312215436} H7 14 1
1 {} {0.495006475922 0.675717150666 0.318544392812} H8 15 1
1 {} {0.607827937401 0.664625166414 0.531408067882} H10 16 1
8 {} {0.367222421717 0.588824305694 0.53952472891} O 17 1
1 {} {0.304966659077 0.859022889915 0.479265310246} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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