./iterations/neb0_image04_iter223.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 {} {0.465274758273 0.257698782366 0.488734720801} O1 1 1
14 {} {0.325792006221 0.229532980851 0.569598115954} Si1 2 1
14 {} {0.594399349376 0.347949557587 0.445511837863} Si2 3 1
8 {} {0.550042823739 0.502860479733 0.421571543778} O2 4 1
8 {} {0.29035366224 0.348802390809 0.676494012911} O3 5 1
14 {} {0.248229495055 0.504906191941 0.703616228351} Si3 6 1
14 {} {0.571014273028 0.664147741049 0.400180720902} Si4 7 1
1 {} {0.342054639762 0.103979742339 0.647938447328} H1 8 1
1 {} {0.216578591002 0.216242849049 0.46857879166} H2 9 1
1 {} {0.647331860967 0.29032967262 0.320307915105} H3 10 1
1 {} {0.696836418818 0.344229625532 0.552337083157} H4 11 1
1 {} {0.106358087368 0.515053684349 0.750205258164} H5 12 1
1 {} {0.343908089202 0.557870345603 0.804817725082} H6 13 1
1 {} {0.442771829408 0.734066314664 0.426939748601} H7 14 1
1 {} {0.612658812295 0.691388091412 0.259252540762} H8 15 1
1 {} {0.678748216227 0.714103545062 0.491014237302} H10 16 1
8 {} {0.264059247152 0.583999043463 0.559427969865} O 17 1
1 {} {0.213673837928 0.66535681259 0.544531269329} 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