iterations/neb0_image07_iter188.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.472374471673 0.23761861176 0.495102236927} O1 1 1
14 {} {0.332741415979 0.220618472539 0.579461983668} Si1 2 1
14 {} {0.615467238406 0.302828485482 0.451000200654} Si2 3 1
8 {} {0.598553493201 0.463081586015 0.420343251155} O2 4 1
8 {} {0.304885470052 0.347869628292 0.680721215565} O3 5 1
14 {} {0.291142490041 0.510290028623 0.653863523424} Si3 6 1
14 {} {0.49579460165 0.590517294817 0.43667198761} Si4 7 1
1 {} {0.345656611073 0.099915377111 0.664013329294} H1 8 1
1 {} {0.221884520476 0.21173664091 0.480542185367} H2 9 1
1 {} {0.663874390638 0.236236864984 0.327253813523} H3 10 1
1 {} {0.712179437094 0.285761345542 0.562529636577} H4 11 1
1 {} {0.147444121925 0.54942568327 0.655032389382} H5 12 1
1 {} {0.368572427078 0.582805551244 0.758971751989} H6 13 1
1 {} {0.345850913402 0.907140247778 0.498728345157} H7 14 1
1 {} {0.46524973989 0.642634103714 0.30137274852} H8 15 1
1 {} {0.558398780988 0.691624692176 0.525541391947} H10 16 1
8 {} {0.353216109896 0.544014768607 0.504849977362} O 17 1
1 {} {0.31679972618 0.848398432091 0.53505784725} 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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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14 6 0 0
16 5 0 2
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7 1 0 0
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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
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5 4 1 {0 0 0} 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end