iterations/neb0_image07_iter261.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 {} {0.477283829349 0.217127033418 0.500182628948} O1 1 1
14 {} {0.336179989496 0.212650514387 0.584104198173} Si1 2 1
14 {} {0.614318299581 0.295206780346 0.454352566749} Si2 3 1
8 {} {0.586544780935 0.455036414064 0.428636722223} O2 4 1
8 {} {0.312832850895 0.352288959266 0.667745941931} O3 5 1
14 {} {0.290894052316 0.513949568873 0.647479350402} Si3 6 1
14 {} {0.496054245768 0.591517762816 0.431209695529} Si4 7 1
1 {} {0.342508524395 0.103156330225 0.683639562837} H1 8 1
1 {} {0.226224854957 0.193050220918 0.485279190378} H2 9 1
1 {} {0.661501530908 0.23411428991 0.327401760722} H3 10 1
1 {} {0.716384858261 0.283478845858 0.56220208958} H4 11 1
1 {} {0.145558710589 0.544147796779 0.647339537168} H5 12 1
1 {} {0.36437412809 0.582062054394 0.757899866259} H6 13 1
1 {} {0.338597168037 0.926524692192 0.500591273371} H7 14 1
1 {} {0.47028175715 0.63569464823 0.292084395183} H8 15 1
1 {} {0.569043835556 0.694466222135 0.510378814113} H10 16 1
8 {} {0.350140666902 0.561678910924 0.501599857598} O 17 1
1 {} {0.311361746734 0.876366786669 0.548930263947} 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