iterations/neb0_image02_iter285.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.454622982413 0.268488289355 0.484473960502} O1 1 1
14 {} {0.324896337107 0.241288278599 0.58147067214} Si1 2 1
14 {} {0.584462734784 0.348875290339 0.427961229989} Si2 3 1
8 {} {0.538581385893 0.493732220046 0.365555482654} O2 4 1
8 {} {0.311352808774 0.359380681354 0.696040407019} O3 5 1
14 {} {0.240319566551 0.502663113827 0.733944176761} Si3 6 1
14 {} {0.565419937243 0.655904079353 0.357267915716} Si4 7 1
1 {} {0.347508151066 0.111609258602 0.651028680754} H1 8 1
1 {} {0.203463165352 0.238220422457 0.495596732861} H2 9 1
1 {} {0.643582906625 0.26793642532 0.318605619468} H3 10 1
1 {} {0.681521008118 0.37274550772 0.538633906985} H4 11 1
1 {} {0.0944893832936 0.483253843352 0.755373826438} H5 12 1
1 {} {0.311026011581 0.552270179399 0.854866822194} H6 13 1
1 {} {0.437692065033 0.720062784445 0.316083177766} H7 14 1
1 {} {0.672609889271 0.686717154309 0.257852971037} H8 15 1
1 {} {0.604573450077 0.707778811013 0.491888347036} H10 16 1
8 {} {0.252715304477 0.612768722903 0.61029821546} O 17 1
1 {} {0.341249382211 0.648823190967 0.594115510715} 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