./iterations/neb0_image08_iter65.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471657732437 0.216218038782 0.488069273415} O1 1 1
14 {} {0.334354960517 0.221001162545 0.577905914551} Si1 2 1
14 {} {0.601827605151 0.306833050679 0.443729689828} Si2 3 1
8 {} {0.556298676341 0.458409392186 0.401940495259} O2 4 1
8 {} {0.331378522916 0.355057030087 0.674176027622} O3 5 1
14 {} {0.297983071489 0.515671731117 0.6747829483} Si3 6 1
14 {} {0.503179504056 0.604731294249 0.453942538378} Si4 7 1
1 {} {0.331591256132 0.102070746809 0.666665798074} H1 8 1
1 {} {0.217390131396 0.224660739901 0.485697596138} H2 9 1
1 {} {0.662675623825 0.243463469555 0.324289832} H3 10 1
1 {} {0.696534333932 0.317912442831 0.558053778853} H4 11 1
1 {} {0.151477045079 0.537833745085 0.665019528373} H5 12 1
1 {} {0.355357216419 0.573851917789 0.798874091258} H6 13 1
1 {} {0.333187598676 0.836493247136 0.41549183772} H7 14 1
1 {} {0.474026650486 0.68341946491 0.33223784965} H8 15 1
1 {} {0.605912339295 0.670329786454 0.539600476109} H10 16 1
8 {} {0.366354520949 0.586813805552 0.544038213198} O 17 1
1 {} {0.318899333605 0.81774690509 0.486542105516} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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