iterations/neb0_image06_iter279.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 {} {0.469183942764 0.252047504729 0.488352104119} O1 1 1
14 {} {0.323663612878 0.22445237804 0.559358373663} Si1 2 1
14 {} {0.608425633724 0.339898682292 0.472995959319} Si2 3 1
8 {} {0.585886602455 0.491349569448 0.533281427662} O2 4 1
8 {} {0.251804705324 0.353482853718 0.632161249557} O3 5 1
14 {} {0.27371180641 0.514060551498 0.65785778489} Si3 6 1
14 {} {0.494503306292 0.611108110486 0.463013726466} Si4 7 1
1 {} {0.341509913995 0.123847492083 0.666490566915} H1 8 1
1 {} {0.238577846856 0.174458260755 0.448640047704} H2 9 1
1 {} {0.638323641741 0.353449775476 0.326473048566} H3 10 1
1 {} {0.717418765995 0.275294837047 0.549567786144} H4 11 1
1 {} {0.145889819316 0.567773321581 0.713715010921} H5 12 1
1 {} {0.380203575217 0.554286315648 0.753444775063} H6 13 1
1 {} {0.403292128194 0.785973320749 0.492773074166} H7 14 1
1 {} {0.473553449657 0.608532323665 0.318560599413} H8 15 1
1 {} {0.596007449522 0.724208872196 0.473173057471} H10 16 1
8 {} {0.329458400145 0.573189581215 0.513812861439} O 17 1
1 {} {0.338671478209 0.745104433115 0.467386902704} 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
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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
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end