{"1": {
 "calculator": "gpaw",
 "calculator_parameters": {},
 "cell": {"array": {"__ndarray__": [[3, 3], "float64", [26.1281, 0.0, 0.0, 0.0, 26.1252, 0.0, 0.0, 0.0, 15.084399999999999]]}, "__ase_objtype__": "cell"},
 "ctime": 24.38368162530084,
 "dipole": {"__ndarray__": [[3], "float64", [0.07029578976990049, -0.07049745619407606, 0.2664964774601214]]},
 "energy": -552.6084581354633,
 "forces": {"__ndarray__": [[82, 3], "float64", [-0.010466496748553804, -0.017305479224835177, -5.9390781150476516e-05, 0.0028301127779445006, -0.02157352281294936, 0.00023682360309018027, 0.027807528233391988, -0.02725481676204023, -0.00030631060793327134, -0.007255193129037808, -0.012179675054417971, -4.713624556455053e-05, 0.022723019973117143, -0.003053588161359995, 0.0017068283660114784, 0.0018297770924293867, -0.006174763546576933, -0.003043944126008475, 0.012946644705608325, 0.00880927798236426, -3.194048498689086e-05, 0.01520922408260168, 0.00334618815751505, -0.0001299648529720792, -0.0041464850878836544, -0.015200050024469582, -9.76128980575329e-05, 0.006554597587663987, -0.003644419796589424, -0.0029773974430874965, 0.0019602425140485837, -0.023957289510161923, 0.0017266219689762148, 0.025916631235421202, 0.010977137227063045, -0.002477060432342809, 0.005582745509313901, 0.01231844970389991, -0.0037560421362690236, -0.005371182780679462, 0.0066972372343565715, 0.0033171505584068672, 0.01899656987386382, -0.020675649772736254, 0.0011688583719711271, 0.012257806564796006, -0.003472465928751955, 0.0009556730706261814, -0.01704427129963893, 0.009513999327308533, 6.4132320049892645e-06, 0.004538940611599929, 0.002494439890439431, 0.0010725907275960667, 0.020568541850787173, -0.015443862353351384, 0.0011018429358862886, -0.016483756899272756, -0.0019001874374492576, 0.0003696335916431575, 0.0040565149365202405, -0.012501460550812863, 0.0014205343092327904, -0.010570892956454268, -0.02790603833218919, -0.0026824308852551547, -0.011986596862522481, -0.005844609087928421, -0.003518455154166011, -0.0010091055757481435, -0.005059805078584107, 0.0011240701600912608, 0.016905006171924492, 0.011921583730803879, -3.2545140818895553e-05, 0.02103199626954339, -0.0013754663318907923, 0.00025466465334792653, -0.00936684195645993, 0.01817843613837792, -0.00010293953620352524, 0.0022330831267128107, 0.015540940250889647, 0.0002456923854195915, -0.007780378187836, -0.015031119723113872, 0.0006523873108480911, 0.0100142610216464, 0.007549639772406057, -0.00307185804469772, -0.004833123998744685, -0.010350104163611533, -0.002282138818913088, 0.014166097232725444, 0.0028832141849384554, 0.000590084234924322, -0.00391703589457335, 0.004085045621089434, -0.0001127320096831845, 0.012337586396870636, -0.003798848162817333, 0.0009919097805370567, 0.004989170243433208, 0.01232985577650853, 0.004863025184825304, 0.003910357009126423, 0.01236140530508958, -0.003473207089729061, 0.0095296643774217, 0.0063942133431798874, -0.0006633394715588021, 0.016456518041913597, -0.005163804946897778, 0.010312577646807614, 0.008804984730673458, 0.00628245135255969, 0.0012310694302329643, 0.0165491866635077, -0.005735699209406354, -0.009533391384666771, -0.00590894972774542, 0.00502026627352252, 0.0003485631925289713, -0.014156251608518487, -0.004108681117804868, 0.00011410431087055093, 0.009556806296640684, 0.0009572814626832992, -0.003264150107497207, 0.009265930010441178, 0.00012988787732407344, 0.004250355218071658, 0.03411600891926348, -0.033753093375799584, 4.195815023892241e-05, 0.024462472991421458, -0.025269366079463413, -0.00842882266680994, 0.025091515431040073, -0.02512729160518254, 0.008072371865228986, 0.0120830104232632, -0.011964251877472225, 0.009613257626722264, 0.008055667310625072, -0.011159042588131494, -6.297572249457609e-05, 0.011648987919060116, -0.011664987255687669, -0.010151437037422738, 0.010681587347267997, -0.01011528401332762, -8.181319425527961e-05, 0.013765734028510368, -0.014290383763813452, 0.00018519755728141292, 0.007346138391341588, -0.007066154973196737, 0.027307885046375206, 0.007756719986235137, -0.007398805718084952, -0.031003629062882947, 0.002051786417407342, -0.0022060330112039237, 0.005214776032069293, 0.004855171156543417, -0.011495570495448668, 0.00015000141240000887, -0.012355344234452947, -0.00493448878185548, -0.003936317158022389, -0.013127894771574479, -0.004453481318777171, 0.003689793253381367, -0.006166602995943023, -0.009231946226308557, 0.0007452959714247363, 0.005413808598024998, -0.017019913957733484, -0.009452366672714345, -0.006654548801289678, -0.00900743737573075, -0.0006143479298683182, 0.0056982419643830445, -0.017738507203712003, 0.00999127689645108, -0.0058489125176478425, 0.005087939938389617, -0.00032902095590914596, 0.004008667651160631, 0.013711317565997387, -0.00040695138763372087, -0.001003536578684667, -0.010063075363654776, -0.0031756020398671274, -0.001209367175195648, -0.009560726090114886, 0.0023401677618010816, -0.009011220681359317, 0.0091720465738374, 0.008607062640678783, -0.015009262036259189, 0.01378099418308252, 0.005281036705413322, -0.0005446318529708341, -0.0006189516331615774, 0.01678137978290807, 0.015872593351920157, -0.016665924750755255, 0.012625969438824524, -0.0013015892852561268, 0.0005939082165395156, 0.0002582181204017535, 0.017680539905907674, -0.018298065741791297, -0.008219895059414634, 0.02227364683724376, -0.022022037296154495, 0.029235331246135633, 0.003451070193934163, -0.005309235262589644, -0.0015511184744633386, -0.0027604814109992654, 0.0007582328168833769, -0.007588184073254498, 0.01017051498180674, -0.012844778649410598, 0.002258884965331211, 0.0085093590278245, -0.006269098250039143, -0.015575637425181952, -0.004477419828093237, 0.005668553255803021, -0.021045922495351404, 0.005342481705453319, -0.003907128530361562, 0.008673070374945508, -0.0063012506650906835, 0.006505080686023767, 0.0105198191894834, 0.001477690460027803, -0.0013026819710721252, 0.0192713847796886, 0.00758259929875381, -0.007671389767702322, 0.03153993924074564]]},
 "magmom": 0.0,
 "mtime": 24.38368162530084,
 "numbers": {"__ndarray__": [[82], "int64", [6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 30, 6, 6, 6, 6, 1, 6, 1, 6, 1, 1, 1, 6, 6, 6, 6, 9, 6, 9, 6, 9, 9, 9, 6, 6, 6, 6, 1, 6, 1, 6, 1, 1, 1, 6, 6, 6, 6, 6, 6, 1, 6, 1, 6, 1, 1, 6, 8, 8, 1]]},
 "pbc": {"__ndarray__": [[3], "bool", [false, false, false]]},
 "positions": {"__ndarray__": [[82, 3], "float64", [10.891180668604301, 18.827296004365742, 7.542158841322187, 10.469283384752686, 17.436798262949978, 7.542165087295657, 9.120057159572005, 17.005652229953203, 7.542208565999463, 6.432710965996902, 13.178292898967749, 7.54218237871952, 16.717968066531224, 15.928071192162948, 7.542473356240563, 16.73082245930907, 13.186131318741223, 7.541473598803859, 12.947422857283248, 19.69313933067226, 7.542203493739277, 10.213257733433128, 19.696848490934332, 7.542197403075314, 6.429127861022018, 15.912410216863256, 7.542205836515645, 12.939756012880004, 9.39456608238324, 7.54147147186314, 10.197766762461766, 9.407265031996152, 7.542424002035021, 12.25992864646794, 10.261983008287666, 7.541377585701941, 12.685171868397244, 11.650401921403732, 7.540903075906819, 14.046733091723825, 12.078853763816738, 7.537140415940757, 10.882875727662151, 10.269654885694143, 7.5426358456799925, 10.468422261635554, 11.662077819397204, 7.543487235902056, 12.268320201074797, 18.825794942050635, 7.54214893904593, 9.11889790682717, 12.088211796517053, 7.542673741841933, 15.85567500642251, 15.242821765027768, 7.542626659196179, 12.687941427731273, 17.43471104371919, 7.542301133590068, 14.463310782748241, 15.657483502589383, 7.543445026820417, 15.86324710747481, 13.86584372394689, 7.541327607183823, 14.474789961381044, 13.440604219594482, 7.540881222443789, 14.037523066749676, 17.007127584310293, 7.542765071813729, 7.298628862510598, 15.23445076485591, 7.542166402331638, 8.689040592984732, 15.656444235709143, 7.542185090472263, 7.300141106036989, 13.85731712984871, 7.5421294338167915, 8.691282153658856, 13.437805154650402, 7.54226787344684, 11.577680833222972, 16.60145660196136, 7.542213497315692, 11.58562415924376, 12.49223749657301, 7.543200690160912, 13.633058369877201, 14.540373693067362, 7.543203670194332, 9.524452556188919, 14.548173750246306, 7.542234038696219, 11.580290025144182, 14.545337272165323, 7.542555788956273, 15.095268986804319, 18.077176372882594, 7.542453041535182, 15.59417090157793, 18.59298347514536, 8.76017160494594, 15.59464584651151, 18.592834344405055, 6.324827239205362, 16.577356369232668, 19.600225122347773, 8.76062961263349, 15.192676996688478, 18.199797593176676, 9.714253698608855, 16.577784537101163, 19.60014097476087, 6.3247039019049405, 15.193469525553539, 18.199705135016803, 5.370569071275074, 17.076004879158234, 20.102671819524332, 7.542741435228585, 17.852805986823977, 20.892019030818314, 7.542824479807917, 16.955939877048515, 19.997792843744204, 9.722469057520941, 16.956594935287278, 19.99782249219624, 5.362994766054791, 8.057336836673024, 18.0683348183696, 7.542226867977283, 7.536624436814147, 18.589131178118535, 8.746314253371855, 7.536780077062453, 18.58925196631274, 6.338136980297441, 6.5408071811320365, 19.5851811689196, 8.762982116742746, 7.999281637794582, 18.12597531224894, 9.932930539033586, 6.54092774201467, 19.585152927809272, 6.321642567297899, 7.99969109749343, 18.12669011044073, 5.151403473388351, 6.04092398312785, 20.085331163038784, 7.542254041045481, 6.068277801900193, 20.057577925980866, 9.938810442206119, 6.068198672317388, 20.057744894478176, 5.1459947183603525, 5.0860921146796745, 21.040267805193224, 7.54168186552533, 8.048682853932256, 11.030704899819712, 7.542045767894496, 7.53276481950596, 10.532162926983304, 6.324213854913508, 7.532892982624591, 10.531461870634848, 8.759613226302362, 6.525419886901627, 9.549073819717707, 6.323773988160556, 7.925715867191239, 10.933950618193043, 5.370126748502394, 6.525481516013701, 9.548511237658383, 8.75969716149826, 7.925878609410791, 10.933052969456933, 9.71376016783633, 6.02304023110757, 9.050311313733436, 7.541636861518876, 5.233515153073856, 8.27371536166424, 7.541554082190372, 6.127722963262696, 9.16992265353361, 9.721411974902185, 6.1277354381612135, 9.170636084656474, 5.361957008272676, 15.059918589594075, 11.066023554940644, 7.5322251735337105, 15.934114570861825, 10.191774791334348, 7.525661064808152, 16.947460918046833, 9.178181912175509, 7.54365397496458, 17.439627999427334, 8.686510074402378, 8.784656384940268, 17.47575866014153, 8.64966321172908, 6.332579981981063, 18.430577888324596, 7.6960173430941055, 8.817469841395393, 17.022686966763764, 9.103296681766134, 9.72069440319591, 18.46473203862596, 7.661155607425477, 6.369712996424443, 17.095077965957334, 9.030882261462812, 5.366752388085276, 18.94999135557195, 7.176824104055689, 7.606736277830643, 18.809308046686894, 7.316929987604643, 9.785760401725664, 18.894754139165396, 7.231035934377235, 5.445093121132582, 20.005731894098698, 6.121595512770242, 7.559384437398138, 20.48268246763057, 5.645268616931724, 6.526441132678337, 20.4112588217555, 5.716040690026943, 8.80953292207951, 21.099002646546754, 5.028759775061133, 8.613283412883446]]},
 "unique_id": "6091c2d843d0270264327d4666d7a124",
 "user": "cmr"},
"ids": [1],
"nextid": 2}