#MD System 2.0

@Title neb0_image01

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
78 {} {0.664171752231 0.665271319347 -7.54653428518e-05} Pt1 1.0 1 1
78 {} {0.414400308652 0.915019779003 -0.000148698895744} Pt2 1.0 2 1
78 {} {0.414368347537 0.665283655982 -2.96183945839e-05} Pt3 1.0 3 1
78 {} {0.164306357655 0.915222635638 -0.000234119130739} Pt4 1.0 4 1
78 {} {0.91441519145 0.415038747432 4.39450280898e-05} Pt5 1.0 5 1
78 {} {0.914282090306 0.165193865359 -0.000146388748953} Pt6 1.0 6 1
78 {} {0.66440747906 0.41508582059 -0.000189243724149} Pt7 1.0 7 1
78 {} {0.164235416186 0.165299556836 2.64779812911e-05} Pt8 1.0 8 1
78 {} {0.914229228843 0.915316220686 -0.000133274967338} Pt9 1.0 9 1
78 {} {0.914189372229 0.665243123805 -1.49819752603e-05} Pt10 1.0 10 1
78 {} {0.664322648133 0.915160025058 -0.000169644577036} Pt11 1.0 11 1
78 {} {0.164337169243 0.665257458547 1.16259143702e-05} Pt12 1.0 12 1
78 {} {0.664508504847 0.16505980596 -0.000139190705584} Pt13 1.0 13 1
78 {} {0.414402362407 0.415125967719 -5.29126906664e-06} Pt14 1.0 14 1
78 {} {0.414373732376 0.165054275394 1.37637449154e-05} Pt15 1.0 15 1
78 {} {0.164280303723 0.415122695221 -5.49502164233e-05} Pt16 1.0 16 1
78 {} {0.74782860116 0.748115860957 0.0789502442089} Pt17 1.0 17 1
78 {} {0.747918281073 0.49832964034 0.0789069277221} Pt18 1.0 18 1
78 {} {0.497824502907 0.748284733817 0.0791330921805} Pt19 1.0 19 1
78 {} {-0.00170973526933 0.498008990391 0.0793192580405} Pt20 1.0 20 1
78 {} {0.497634764431 -0.00167750294692 0.0789368410203} Pt21 1.0 21 1
78 {} {0.247551294587 0.248855793204 0.0793892420623} Pt22 1.0 22 1
78 {} {0.247881459102 -0.00148074237691 0.0788298178619} Pt23 1.0 23 1
78 {} {-0.00150068045865 0.24892092756 0.0793375285236} Pt24 1.0 24 1
78 {} {0.497746659342 0.498368949482 0.0789107366535} Pt25 1.0 25 1
78 {} {0.247893728137 0.748309885007 0.0789686118051} Pt26 1.0 26 1
78 {} {0.24765334645 0.498145684461 0.0791098301214} Pt27 1.0 27 1
78 {} {-0.0020331602597 0.747845079712 0.0788929658419} Pt28 1.0 28 1
78 {} {0.747954019813 0.248357214486 0.0789740953391} Pt29 1.0 29 1
78 {} {0.747685501073 -0.00151130881553 0.0789390741649} Pt30 1.0 30 1
78 {} {0.497103727063 0.248595989196 0.0789870088543} Pt31 1.0 31 1
78 {} {-0.0021668503282 -0.00140804161952 0.0788481649065} Pt32 1.0 32 1
78 {} {0.330561362497 0.331478021935 0.157064636541} Pt33 1.0 33 1
78 {} {0.0815217147956 0.581295185189 0.15690553156} Pt34 1.0 34 1
78 {} {0.082593252 0.332062320055 0.158012887479} Pt35 1.0 35 1
78 {} {0.831203512322 0.581048929672 0.156677583909} Pt36 1.0 36 1
78 {} {0.581558553833 0.0814350428654 0.15660902886} Pt37 1.0 37 1
78 {} {0.581587011296 0.831267648452 0.156610931835} Pt38 1.0 38 1
78 {} {0.331527288443 0.0808172280275 0.156710373321} Pt39 1.0 39 1
78 {} {0.831421884848 0.831652952064 0.156387876324} Pt40 1.0 40 1
78 {} {0.581563497226 0.580786995224 0.156779058468} Pt41 1.0 41 1
78 {} {0.582035743491 0.330580020985 0.156301012749} Pt42 1.0 42 1
78 {} {0.331708865853 0.581624642218 0.156448865971} Pt43 1.0 43 1
78 {} {0.831931876678 0.33092012076 0.156551240309} Pt44 1.0 44 1
78 {} {0.331165970879 0.831305966175 0.156631089301} Pt45 1.0 45 1
78 {} {0.0812731968616 0.0815421126192 0.156547467081} Pt46 1.0 46 1
78 {} {0.0807688097276 0.8320465495 0.156234566799} Pt47 1.0 47 1
78 {} {0.83148145268 0.0813645017598 0.156739419753} Pt48 1.0 48 1
78 {} {0.416849517225 0.413315215777 0.233697566929} Pt49 1.0 49 1
78 {} {0.416280708586 0.162122667671 0.235542544463} Pt50 1.0 50 1
78 {} {0.163740706396 0.415676760786 0.237615336885} Pt51 1.0 51 1
78 {} {0.665890554744 0.163279837924 0.236025824073} Pt52 1.0 52 1
78 {} {0.164870779197 0.66707046671 0.234642567253} Pt53 1.0 53 1
78 {} {0.914915951646 0.914341200819 0.235725434975} Pt54 1.0 54 1
78 {} {0.912953086685 0.665750789154 0.235100778301} Pt55 1.0 55 1
78 {} {0.665180847034 0.913870749538 0.235631416024} Pt56 1.0 56 1
78 {} {0.165501457023 0.162338710673 0.235725544648} Pt57 1.0 57 1
78 {} {0.913649912694 0.413997204419 0.235722207875} Pt58 1.0 58 1
78 {} {0.915116753982 0.163772966151 0.235726453732} Pt59 1.0 59 1
78 {} {0.665867383623 0.413893363228 0.235835352066} Pt60 1.0 60 1
78 {} {0.415399934879 0.913270486402 0.235665500983} Pt61 1.0 61 1
78 {} {0.415830404495 0.664307399869 0.236284547594} Pt62 1.0 62 1
78 {} {0.165368615453 0.913894604693 0.235611971623} Pt63 1.0 63 1
78 {} {0.664683914595 0.663912276369 0.235747357002} Pt64 1.0 64 1
1 {} {0.50132807 0.368870886419 0.323989089203} H1 1.0 65 1
1 {} {0.418064401633 0.527658379855 0.316049899138} H2 1.0 66 1
1 {} {0.254414923183 0.455743930139 0.321953655526} H3 1.0 67 1
1 {} {0.0939597217908 0.562022317522 0.320502917569} H4 1.0 68 1
8 {} {0.407713503082 0.447879437481 0.323830646367} O1 1.0 69 1
8 {} {0.162527954546 0.462435229304 0.317002253918} O2 1.0 70 1
8 {} {0.559205205947 0.449471796738 0.39982733053} O3 1.0 71 1
8 {} {0.304434979105 0.574588619491 0.411173059719} O4 1.0 72 1
16 {} {0.434015196627 0.444789752009 0.410752160983} S 1.0 73 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} {11.0868996364 11.0868996364 29.0524107273 90 90 60.0000007273} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868996364 0 0} {5.54344969631 9.60153680466 0} {0 0 29.0524107273}} {{0.0901965412149 0 0} {-0.0520749958239 0.104149993938 0} {0 0 0.0344205515125}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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@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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