{"1": {
 "calculator": "gpaw",
 "calculator_parameters": {},
 "cell": {"array": {"__ndarray__": [[3, 3], "float64", [27.1361, 0.0, 0.0, 0.0, 27.2512, 0.0, 0.0, 0.0, 21.1177]]}, "__ase_objtype__": "cell"},
 "ctime": 24.38341284682321,
 "dipole": {"__ndarray__": [[3], "float64", [-0.36211970461016624, 0.32226113312606547, 0.39155271777926415]]},
 "energy": -818.3927800885089,
 "forces": {"__ndarray__": [[126, 3], "float64", [0.02689848636736935, -0.005643296633140025, -0.009553449539801827, 0.018087154229769378, 0.0029321412815982977, 0.004505965375514408, 0.01664316222453523, 0.009877924182329106, 0.006411076018075193, 0.013203141819100983, -0.017206926969960207, -0.004340092403350228, -0.0028151113207047357, 0.0013477718498332801, -0.000881845403808423, 0.018047053869834826, 0.02806068076369175, 0.004405660510558553, 0.02562780194447265, -0.009177321566394468, -0.006579857736558235, -0.018100893486789785, 0.01927215225733271, 0.021244435524936635, -0.017375916562537532, 0.002072690756820256, -0.001083817709722374, -0.012704002644358524, 0.0003551530732951486, 0.013815433839550407, 0.030606163184812744, 0.01791122481124642, 0.016553956621091968, 0.011638952044001024, 0.0041677327831048504, -0.0055925598693619405, 0.0037943281040410544, -0.0159597121306783, -0.007075479122720782, -0.010879712099905958, -0.014190504314845148, -0.025143213175761178, 0.00029213680511429, 0.009469184370039149, 0.02049385489769059, -0.011325986782745575, 0.0008570342056499962, -0.01676059807804801, 0.021087453822425353, -0.020570862469222594, 0.018064054017333287, -0.025012510120852687, 0.004325699060601505, -0.013083507895010848, 0.0020480520192232184, 0.008765941717284053, 0.012196525776295469, 0.005640544727710839, -0.031199884053976792, -0.024465597430061384, 0.01048042952528025, -0.01850987962669286, 0.017559601210867044, -0.0015072466177878986, -0.009898041415043867, 0.01644466215017261, -0.014030660795343361, -0.02051360371817419, -0.0011722316389269594, 0.022394001826347123, 0.009598583718025189, 0.029589966670804668, 0.004042197985661641, 0.0026485694851077677, -0.010860665040232222, 0.021692196126093553, 0.008965362646653392, -0.01631356340515846, 0.015276465193339951, -0.00626688424182291, 0.006051235396297831, 0.004590437764141534, 0.014263813230129242, -0.028995651010923666, -0.013004454742124708, -0.00189382299590918, -0.001016917790896458, -0.008193768540117196, -0.0219512848981968, -0.011432979706336218, 0.009645508091116023, -0.013543530117904079, -0.0068130205820112295, 0.010290994589703095, 0.01829934708861629, 0.005652796091960162, -0.01778925139072217, 0.009177829468430942, -0.012826463763509297, 0.018753549359880613, 0.0041830225623222285, -0.009660921941705855, 0.028907084319739523, -0.014488967237896909, 0.01548841063613181, -0.02549365004826291, 0.03062782991410513, 0.01901503017023448, -0.022676041289603776, 0.002132423482161441, 0.0378896959625138, 0.001961967959628592, 0.015718121467034628, 0.020266566036357823, 0.02733137281412894, -0.005236765600748155, -0.02853062938939755, -0.027425490714782595, -0.02638839340280444, 0.003951567020035663, -0.024888843127075014, 0.009841569162192292, -0.03688861109308078, -0.01943846816814407, -0.00871903793643967, 0.020123568537995747, 0.0016517516251227018, -0.014785724825086517, -0.010154702442109205, -0.019915801188167683, 0.008362573475191502, -0.02281598362435882, -0.02730545052823591, 0.012392487133499464, 0.011070718427480336, 0.0014494185341304745, -0.00745783010016342, 0.0028512865545285123, 0.027164404743549624, -0.020367403452843637, 0.01754459013433298, -0.005696607388334348, 0.006440445289295499, 0.00030411055799240316, -0.00964646103680251, -0.01148783336424608, 0.014267499767433502, -0.0033297840673741615, -0.005108846180006226, -0.0020925743740042024, 0.001409098569583905, 0.018333030392925123, -0.004092889590566014, 0.004598780275980005, 0.005566666492234754, 0.002554527070842209, -0.01433204529275659, 0.02379300047051198, 0.0019309309131819166, -0.00157926753191997, 0.0033043900509981605, -0.021034354404002194, -0.005453264650565903, -0.006769796100233836, -0.01456749298183268, 0.005905962684583114, 0.001503470985204196, -0.030458708431584932, 0.00984672580405064, -0.00363389464385587, -0.011772409472161871, -0.006869536307693887, 0.012443989290173183, -0.003104658697925459, 0.01165605150501661, -0.02738558903367235, 0.014023530041589325, 0.03297373856502093, 0.009709169991006926, 0.00905474971121464, -0.0017262523814741515, -0.022095674031992675, -0.004965851784859135, 0.0056207978557818875, -0.004733936595601093, -0.004115989420780529, -0.00010317813440203396, 0.013040529145289886, -0.009225190177678887, -0.014099589228849865, -0.004039928020373429, -0.015142497189273345, 0.007763132665993865, -0.010978408255939326, 0.002751656983858843, 0.0033445269111614944, 0.02105461442198826, -0.015448553963196585, 0.005051396136388845, -0.0289441832785102, -0.0035716286568793824, 0.004333477350166456, -0.012700356805800325, 0.0022983904486193283, 0.005866437625863729, -0.007954938841614353, 0.03848930724412709, -0.02289845749558514, -0.03631232167773936, -0.009323055128249245, -0.008877205873915064, -0.007668149279013612, 0.008249193318082099, -0.005405004554074766, 0.025610097804107425, 0.003134311028168955, -0.012135656867680231, 0.018143375498499967, 0.013249759982055121, -0.017846229534408994, 0.021364759719744872, -0.02600767576673699, 0.0051617475755166755, 0.004461372418975349, -0.0015236731257741078, -0.010184779752669518, 0.002366737039525401, 0.018811023788510624, 0.022674658085077955, -0.0010944145069248948, -0.0001576513826362581, 0.0026102747954386335, -0.008190858088132698, 0.0037824793322037984, 0.0032139097973961435, -0.02325056483555148, 0.015435255237653711, 0.024815392135314893, -0.0026269566537665324, 0.01105566697666962, -0.007424381944128068, -0.0060957677536524575, 0.0007045622545154573, -0.02254817353761598, 0.011284292538531353, 0.004054932593140766, 0.0076269243116618545, 0.035380414915044414, 0.0008265689581341723, -0.0033633925024977116, -0.0019638955260814156, 0.01412354423571612, 0.01962276755568485, 0.04458203135828347, -0.001998081900103666, -0.0021018176209498573, -0.012087481351234095, 0.03007071108888358, -0.00573984974965333, -0.02728964963815597, -0.0009743256149705232, -0.012947405867249708, 0.013007716626042073, -0.003428287786621475, 0.004798266962351982, 0.01450380565334611, -0.024145320690623154, -0.005885016472669155, 0.038402974254387136, -0.0008677548523152947, 0.02016765908050217, -0.0064778154479851555, -0.00812652158117892, 0.01278545950118274, 0.016572478659604203, 0.008155963257020489, -0.026854021965682498, 0.00792829829684769, 0.004684389809281676, -0.008665044852621638, -0.009887329957030936, -0.0006179732292814911, -0.01959060522085202, 0.011693261392045438, 0.0034167465779867835, 0.02468385566125957, -0.0003647032653792785, 0.0071310189543085534, 0.03586968771428567, -0.008727450758821932, 0.000835771058364599, 0.003911051022958506, 0.005590637184948292, 0.02814690689566382, 0.002641095688549029, -0.010453500975941329, -0.017025056392073943, -0.00496097198173849, 0.012369498381940885, 0.011113325937289332, -0.007465950641695649, 0.0031001511399140645, -0.0025685076662880757, -0.020660634357752058, -0.0005375180386058046, -0.01169206957543637, 0.005112076052063179, -0.013232332846377702, 0.007114987973153027, -0.025501107116547933, -0.016609799475957025, 0.028256107006023247, -0.009706337191655309, 0.01034616527297245, -0.02482854492066153, 0.002999563057070705, 0.012473125097899159, -0.02309088969302675, 0.012382203708155693, -0.007508685436386392, 0.009097186013734796, 0.017217808577253427, 0.006135729352744412, 0.01377116021387098, 0.015303908727345905, 0.002291583097752765, 0.013505992074415716, 0.03248236037143282, -0.009532071620543349, 0.024701112437469898, -0.0018239505511230894, -0.012409268488269858, -0.04250773540681728, -0.00367786610579999, 0.0010888332615277543, -0.029728241516859974, -0.0009414995912183803, -0.0177610745134418, -0.014575483722026416, 0.012036037148079047, 0.007657452579911312, -0.01872534619764487, 0.004790005398858839, -0.014866682858612647, 0.0013750207405063982, -0.0034624507574663203, -0.02663145711035589, 0.013146889123490678, 0.0005510749732599795, 0.012805669064649515, -0.0336876337471053, 0.00852035203241392, -0.02348623996986651, 0.006533774613477264, 0.029898001679050237, 0.00042445301496216083, -0.009792619411488072, -0.008198699489100538, -0.020346216942740556, 0.023812097401279635, 0.017233533906034073, 0.0018425468762209164, 0.01571223358170234, 0.020288960593361893, -0.008223964421873706, -0.009427159670966342, 0.02441863598882427, 0.019873168334155242, -0.03460755439519655, 0.0032165921900835946, -0.02016424972527229, -0.005837647758304052, -0.00216134124262667, 0.0086003483160007, -0.009270110471818523, -0.0013548495376351675, -0.02756487351627524, 0.010290955891220118]]},
 "magmom": 0.0,
 "mtime": 24.38341284682321,
 "numbers": {"__ndarray__": [[126], "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, 7, 6, 6, 6, 6, 1, 6, 1, 6, 1, 1, 6, 6, 6, 6, 1, 6, 1, 6, 1, 1, 6, 1, 1, 1, 6, 1, 1, 1, 6, 6, 6, 6, 8, 6, 8, 6, 1, 1, 1, 6, 6, 1, 1, 1, 1, 1, 1, 7, 6, 6, 6, 6, 1, 6, 1, 6, 1, 1, 6, 6, 6, 6, 1, 6, 1, 6, 1, 1, 6, 1, 1, 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__": [[126, 3], "float64", [11.463194403219852, 19.286169355365942, 10.476534967779177, 11.054982716888524, 17.893315617535187, 10.526787262508096, 9.707020836653172, 17.463375688057116, 10.586196696643793, 7.031324424605494, 13.632146377265858, 10.612751396463715, 17.31848882460095, 16.404706513698617, 10.277726815146144, 17.313535864403946, 13.659702533995507, 10.451348749181975, 13.500086605421897, 20.182413206623764, 10.417820607356314, 10.774403118048152, 20.144580085637926, 10.441216148110273, 7.035756485799583, 16.363223099132604, 10.643673260799257, 13.579365483794492, 9.88973731757005, 10.448281890990456, 10.83182457183659, 9.86788197692994, 10.279365547151944, 12.88409101893502, 10.745303808625872, 10.459779355394561, 13.28776764766018, 12.13733594655455, 10.540576543811104, 14.640056103539338, 12.58112620354586, 10.630622990461022, 11.508286434387072, 10.73369718918925, 10.374994699971639, 11.079443989913608, 12.121381119562125, 10.431132450954694, 12.839844625654857, 19.302663931653324, 10.463306568448386, 9.73132893535129, 12.54038237819932, 10.495908343071356, 16.455400967085932, 15.727666468394236, 10.383013154733757, 13.275938012695347, 17.91739092202668, 10.50077096771602, 15.06506489148285, 16.14883658581067, 10.44200637199116, 16.455833332940955, 14.352179795386153, 10.467792685893993, 15.068326104863802, 13.938592842408452, 10.554730182978048, 14.63279724503919, 17.494844046827055, 10.473810442157324, 7.902327963498976, 15.683115204594253, 10.625276485297748, 9.289303202872969, 16.10989938739053, 10.59758519053245, 7.90305773401381, 14.305221165368483, 10.60868533338308, 9.294657583856031, 13.890175584184506, 10.571334157466147, 12.174359319199814, 17.070329326766196, 10.535796016725161, 12.180941847276614, 12.964953315045426, 10.50326459995904, 14.232691897377793, 15.039654229407658, 10.524656178287811, 10.12774205553449, 15.002131667873751, 10.57167187685882, 12.175185695099657, 15.024131026958422, 10.548342798555714, 15.656625020322187, 18.512972540445254, 10.527283986060013, 16.122319253433023, 19.114557249754654, 9.332607519605952, 17.16390719120458, 20.080942756342623, 9.330531875037295, 15.58217974487777, 18.735403855380092, 8.075590482637637, 17.571010618143337, 20.694843242001117, 8.133877049437139, 17.64516226443982, 20.36817030801257, 10.283490847258472, 16.01547216864754, 19.350086587567514, 6.889953008818642, 14.807662999386421, 17.94776533806692, 8.037659645683503, 16.996255621488896, 20.365910715819375, 6.885378263282865, 18.366104645514234, 21.46650830557637, 8.181502715078095, 15.561172701165491, 19.026579398117278, 5.932794923862714, 15.997362442323766, 19.00348590332227, 11.833842464427534, 16.402240819177763, 18.09479035453229, 12.840163329592672, 15.89699216692663, 20.37395462779132, 12.17472878171459, 16.704227383883957, 18.54182900149333, 14.135821011598864, 16.487524880963218, 17.0196242638892, 12.596189792300043, 16.212900136731328, 20.81114934310784, 13.473536504029555, 15.568077664590515, 21.10428023245714, 11.411433662883686, 16.62024785773705, 19.908956637260566, 14.483766954136549, 17.02529915828081, 17.80112429254269, 14.895860597930938, 16.12008573494602, 21.888311535747278, 13.719554019605413, 16.97241537379599, 20.38911902622051, 15.875419849221942, 16.605858362372658, 19.68727539508146, 16.659157684660357, 18.07699913603296, 20.475900508202482, 16.008218300058424, 16.535977730870712, 21.390990010929272, 16.08253597653942, 17.367261829960732, 21.10436980017434, 5.618648686778849, 18.402086712521026, 21.509015966057415, 5.666927156464499, 17.296344294708998, 20.45071718721384, 4.7202808544412775, 16.6850792729173, 21.971010914528392, 5.443373673271332, 8.64319666730063, 18.529941990904607, 10.55240406373946, 8.069615246553669, 19.17449038536955, 11.68316928096398, 8.204713031390131, 18.942290155619013, 9.252012882828838, 7.088072809268314, 20.186326635338165, 11.500224410098808, 8.343981468089698, 18.964920907966818, 13.015245367379439, 7.228945495249547, 19.939859494333966, 9.074766015712353, 8.829128971380655, 18.285875014862608, 8.210372482890541, 6.681555850586334, 20.55809396277019, 10.218116126287217, 6.672440710603759, 20.669400599770373, 12.403639590947718, 6.89521098059682, 20.22974833611252, 8.06424203007241, 5.914226655170494, 21.34529164473425, 10.093080434752167, 8.463250659408658, 18.680511813155185, 6.8862180570693035, 9.261925946907104, 17.95753043020676, 13.460277833560022, 9.1004210492285, 18.07991770448295, 6.2018018380479525, 8.65220798700968, 19.767205911598555, 6.707484403716911, 7.387943597045447, 18.465303809634694, 6.671056245540891, 9.273162383101342, 18.05811821258398, 14.56683678379233, 10.289265993998484, 18.12416392614259, 13.066401026890055, 8.922662742104903, 16.932705166387773, 13.185084013025934, 8.72599647337014, 11.505959741346283, 10.551923132867774, 8.110923526365173, 11.042114269508113, 9.360960630257381, 7.24010071460932, 9.921617458647646, 9.352709286201726, 8.371826376991223, 11.675182150313729, 8.117479862176154, 6.610224100232018, 9.508701398010132, 8.16615246797694, 7.044163034217583, 9.375443279703411, 10.292772087940854, 7.752437855005937, 11.231848186863205, 6.938575288337847, 9.067523737517595, 12.533431512729031, 8.082101736528628, 6.835256038516185, 10.156228525914438, 6.931452583421984, 5.9127068206656235, 8.647770108756092, 8.209979782825185, 7.9770871486598915, 11.758392502495003, 5.98884022231379, 8.22663872998193, 11.19654437520795, 11.85826930294757, 9.13365213478951, 10.969315279268676, 12.91987078127969, 6.839562951326332, 11.156011921445554, 12.144768814848133, 8.665490765749551, 10.679974431966034, 14.212293280499516, 10.220404701617813, 11.014080615382417, 12.724365522117568, 6.385939011384293, 10.854460275584804, 13.437547050834228, 6.107207810371861, 11.362772640614573, 11.3420007543043, 7.286309439877971, 10.602116110021587, 14.499868463015543, 9.401248521189768, 10.497686876755903, 15.021485771413552, 5.295183823559319, 10.828782100370818, 13.6328306273312, 6.790855815779206, 10.235160729227792, 15.880464288624378, 6.439036504376442, 9.176887651957268, 15.90493718729331, 7.595131374973923, 10.333579688417842, 16.64372694144599, 5.93296267317975, 10.869542754127533, 16.20090810318187, 6.1074965266494825, 9.748995913096708, 5.668138897836012, 6.805292160837127, 9.620006993618855, 4.808451861152667, 5.559340780979197, 8.790289447230249, 5.804347711793218, 5.356586752931297, 10.516527494290726, 5.359721587625572, 15.649363594831508, 11.57708173264233, 10.774553165831465, 16.510083870927033, 10.701402439436938, 10.91576234112352, 17.51647427948634, 9.68328883496641, 10.932331556479461, 18.026890648380167, 9.150822140292421, 12.147458022753222, 18.013900820518835, 9.185114914998177, 9.693970736801333, 19.014796712834947, 8.157297333438553, 12.12021825156561, 17.637107092950462, 9.52612074799171, 13.11319214202891, 18.99903864107312, 8.193262775478889, 9.674772542643197, 17.599714400862716, 9.594151439429275, 8.75316473698074, 19.509499414756117, 7.673586294751417, 10.88668458683835, 19.410983604679608, 7.739980490939033, 13.063757475878683, 19.396271783151615, 7.792190728693212, 8.722868336726338, 20.566823397677474, 6.623607982156344, 10.808123333934313, 21.03425669256449, 6.1716347374827185, 9.760780601387726, 20.99072273561749, 6.200850611560672, 12.04789179395946, 21.69253042921427, 5.534489796685832, 11.833663476551333]]},
 "unique_id": "1aa67c552c8b976b3ccdb8dc0866aa7c",
 "user": "cmr"},
"ids": [1],
"nextid": 2}