96
#https://www.cp2k.org/exercises:2018_ethz_mmm:h2o_md
O    4.0990771611739696E+00    2.8633390287706875E+00   -1.6649750693973509E+01
H    3.6198825143472750E+00    2.9036335565407616E+00   -1.5786648392717291E+01
H    3.3938346757245652E+00    2.6337360930791434E+00   -1.7258942999974757E+01
O    2.0552971764987920E+01   -6.0317716888860673E-01    1.5803161825113377E+00
H    2.1120490846876077E+01    1.8081944903699243E-01    1.5972671732140640E+00
H    2.0893915175102396E+01   -1.1019809737906978E+00    2.2954442847330800E+00
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H   -8.8790878338731307E+00   -4.3113400305239749E+00    4.7757679757154712E+00
H   -8.2891098658871574E+00   -3.8515146034780807E+00    6.0560547138619309E+00
O   -1.5699295004190399E+00   -1.1419760510561048E+01    3.6129811814629091E+00
H   -1.2515766648456859E+00   -1.1923591199013609E+01    4.3578597300341348E+00
H   -1.6014794034952906E+00   -1.0516592744819420E+01    3.8884643815900621E+00
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H   -1.8209963244428125E+00   -4.0747449322863023E+00   -9.3928887615783125E+00
H   -1.8451970174557182E+00   -4.0605585415637524E+00   -1.0828278436385499E+01
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H    2.3259896427433664E+00    7.5392171863950361E+00   -9.0180780131236329E+00
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O    1.1844324850463268E+01   -2.0927058882474009E-01   -1.4065649668312794E+01
H    1.2314749496538584E+01    4.4265839944891588E-01   -1.3587211076047117E+01
H    1.1036049490850663E+01   -1.3482532936801822E-01   -1.3581077198077274E+01
O   -1.3112158228748623E+01   -6.2864535685630267E+00    2.0201791079602431E+00
H   -1.3342241444014668E+01   -6.7879338549113566E+00    1.2161643714725265E+00
H   -1.3917490102408042E+01   -6.4745955342905610E+00    2.5361963291835736E+00
O    6.5504055434638353E+00    2.1722091632679059E+00   -5.2540920378685352E-01
H    7.1181690032685019E+00    2.5160448913501052E+00   -1.2237604523620926E+00
H    7.2032005514839970E+00    1.6132595514874122E+00   -8.4915330775898967E-02
O    2.8728641994261084E+00    1.2463894784822655E+01    1.5766802157132808E+01
H    3.5319661130868818E+00    1.2345097305742453E+01    1.6480886597851171E+01
H    2.7260654590898588E+00    1.3425501065702791E+01    1.5689058285651134E+01
O   -4.7232088660258364E+00    6.1874970257059410E+00   -4.2010201320925882E+00
H   -5.7015580792394100E+00    6.3229099912716578E+00   -4.3313313722768019E+00
H   -4.5258103994562235E+00    6.2059968095552209E+00   -5.1454834292675624E+00
O   -1.1207108202024731E+01    1.2262911915342658E+01   -2.3602598361478542E+00
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H   -1.0522707298067429E+01    1.1539271180629608E+01   -2.3426251777429385E+00
O    1.0157679618370272E+01   -1.6491057241445276E+01   -3.8891647715560207E-01
H    9.7050356527735868E+00   -1.6842658877059659E+01   -1.1648717278703189E+00
H    9.5777475747466223E+00   -1.5735770228942069E+01   -1.4504538901147770E-01
O   -3.3867315013774526E+00    7.8050895970982230E+00   -8.3184507808782868E+00
H   -2.5883287464162126E+00    7.8752895157315681E+00   -7.7780603012568621E+00
H   -3.9367339883859653E+00    7.2104800149382875E+00   -7.8563335584074725E+00
O    4.1388042326267591E+00   -1.5072806578102765E-01    1.4303824695133505E+00
H    5.0472500573404178E+00   -4.8722470110749433E-01    1.4589770925283638E+00
H    3.7467405608582829E+00   -6.3998028017083075E-01    2.1394965295434982E+00
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H    4.7953746600283598E+00    9.3924952891872560E-01    8.6335903258658764E+00
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H   -5.2151318309590131E+00    1.0863848671746059E+01    2.4008154438222835E+01
O   -1.8920336095563112E-01   -1.9723082418168051E+01   -1.2331751859031851E+01
H   -6.9853839676937413E-01   -2.0510391457743804E+01   -1.2648106790669067E+01
H   -6.7178927685170767E-02   -1.9904341227137060E+01   -1.1401598461365145E+01
O    8.6092522191222010E+00   -1.5300879172778661E+01   -6.2889540677378104E+00
H    8.6164121625349033E+00   -1.5988040732713319E+01   -5.6163515969455950E+00
H    7.8631907409852495E+00   -1.5565758302286353E+01   -6.8912232725417359E+00
O    1.4533087231921096E+00   -1.3305185412448356E+01   -1.1916886354803323E+01
H    1.5704975438853019E+00   -1.2389522343553942E+01   -1.1638778267823120E+01
H    2.1592317355561943E+00   -1.3688032462538523E+01   -1.1445000291043685E+01
O    2.9687705641225186E+00   -5.7847368452718690E+00    1.0198124958568776E+01
H    2.1055313600020069E+00   -6.1369494659703072E+00    9.8643510074097875E+00
H    2.7673476315489345E+00   -4.8175890711447638E+00    1.0261860604897310E+01
O    2.1307179526981219E+00    9.0141614782957706E+00    8.8029803669936140E+00
H    2.6906994240494826E+00    9.4300032870082422E+00    9.5306845691514326E+00
H    2.5357829972259256E+00    9.3708237774629808E+00    7.9904382164776395E+00
O   -2.7590496648261693E+00   -3.1955215144759475E+00   -2.3261918496018064E+00
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H   -3.4116085527171047E+00   -3.3919867560013448E+00   -1.5671279742947930E+00
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H   -8.7859157283547180E+00    2.2519209017166939E+00   -8.5544872930068880E+00
H   -7.2213059662322143E+00    2.0590146256161748E+00   -8.9557258250561773E+00
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H    6.8305009483129693E+00    1.1483218223760431E+01    4.6766276844537620E+00
H    6.9209089699397879E+00    1.2599276062084877E+01    5.7102955698020521E+00
O   -2.0365405094837961E+01   -1.2256879300334079E+01    6.2150050341365217E+00
H   -1.9797664340014357E+01   -1.2734530157707740E+01    6.7789740677763728E+00
H   -2.1192917559895324E+01   -1.2576379478142982E+01    6.7398537673836154E+00
O    5.3894209467850960E+00    3.4139122557112409E+00   -3.3441897135960801E+00
H    5.4941839731265079E+00    4.0025859745240160E+00   -2.5460134060473312E+00
H    5.3456451321990039E+00    4.1287379135378721E+00   -3.9781343543418788E+00
