./iterations/neb0_image06_iter242.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474697432866 0.233049142528 0.491390754771} O1 1 1
14 {} {0.328021160536 0.216900314855 0.564622339526} Si1 2 1
14 {} {0.607264605977 0.324484761076 0.463327334814} Si2 3 1
8 {} {0.579161317827 0.483899317619 0.491073454844} O2 4 1
8 {} {0.285351745969 0.351753859196 0.64813896942} O3 5 1
14 {} {0.283439398665 0.515000427943 0.649998347499} Si3 6 1
14 {} {0.489375026375 0.614767417378 0.449675385707} Si4 7 1
1 {} {0.335609879528 0.10800404673 0.663681048114} H1 8 1
1 {} {0.228057243625 0.187117727811 0.459598838593} H2 9 1
1 {} {0.64872645865 0.311692270842 0.320429314705} H3 10 1
1 {} {0.714104092035 0.286080504206 0.559414693508} H4 11 1
1 {} {0.146144320373 0.547334735026 0.701574810484} H5 12 1
1 {} {0.384602928467 0.573770220329 0.741302207377} H6 13 1
1 {} {0.389027244037 0.810342835786 0.52510284151} H7 14 1
1 {} {0.4732368486 0.638367312813 0.303877494122} H8 15 1
1 {} {0.591807991319 0.718125068422 0.491212443366} H10 16 1
8 {} {0.32874284982 0.577561304751 0.502909847464} O 17 1
1 {} {0.322715412113 0.774266709332 0.503728061849} 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