./iterations/neb0_image03_iter94.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467128548451 0.235678231999 0.484160919101} O1 1 1
14 {} {0.329511918213 0.236507186755 0.573665984126} Si1 2 1
14 {} {0.587870961296 0.335610033503 0.434311529727} Si2 3 1
8 {} {0.526291143126 0.4794926359 0.386375740252} O2 4 1
8 {} {0.325860959278 0.36593457334 0.674249756352} O3 5 1
14 {} {0.270543068508 0.515704273414 0.711688718869} Si3 6 1
14 {} {0.533924431804 0.644283913487 0.383559617841} Si4 7 1
1 {} {0.329010829263 0.113555563691 0.657663713241} H1 8 1
1 {} {0.213045223962 0.238955501538 0.480609692288} H2 9 1
1 {} {0.654434937996 0.271111485261 0.318719100194} H3 10 1
1 {} {0.682693535791 0.35454787217 0.547423856773} H4 11 1
1 {} {0.121780095067 0.514153873086 0.722825485539} H5 12 1
1 {} {0.335244467223 0.557637744738 0.838806823519} H6 13 1
1 {} {0.399007616683 0.703059067693 0.36090218708} H7 14 1
1 {} {0.620912412756 0.686248846649 0.268674154326} H8 15 1
1 {} {0.593337686742 0.696078913385 0.510979416929} H10 16 1
8 {} {0.31841424425 0.614721385899 0.586792737388} O 17 1
1 {} {0.301074034964 0.709236855779 0.589648567811} 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