{"1": {
 "calculator": "gpaw",
 "calculator_parameters": {},
 "cell": {"array": {"__ndarray__": [[3, 3], "float64", [27.1831, 0.0, 0.0, 0.0, 27.1875, 0.0, 0.0, 0.0, 19.3163]]}, "__ase_objtype__": "cell"},
 "ctime": 24.97352594429937,
 "dipole": {"__ndarray__": [[3], "float64", [-0.3344988311853904, 0.3298172984264984, 0.031409746333666166]]},
 "energy": -856.5919631321672,
 "forces": {"__ndarray__": [[138, 3], "float64", [-0.018108692662799, 0.0006478696011406378, 0.007401585547376856, -0.008411704499709958, 0.007587391531529504, -0.009682887854049691, -0.008920276540393172, 0.0106238611434859, 0.0025417068889206956, 0.0009524111873967764, 0.015129397758893106, 0.005441798074550106, -0.010019584126682001, -0.012189406646829012, 0.002329620385968467, -0.01886341313958, -0.0022583775304359363, 0.011494097411574061, -0.020579586465160834, 5.2315601513964346e-05, 0.013112982574126755, -0.010815775347363079, 0.0015191159494578933, -0.008176325539589283, -0.00631593443964024, 0.012487922138337429, -0.005467308767433148, -0.006315266930061163, 0.0031146733902207013, 0.011865996500812168, -0.0011525261851460665, 0.015518298936989064, -0.010897904942784852, 0.00015893551464622233, 0.0027585894867732347, 0.016896770833705034, -0.006552066465478869, -0.000668710874498344, 0.0018453365835621356, -0.010292738476724577, 0.01259121760420759, 0.007612391697434775, 0.0015139411722849237, 0.001251621692867973, -0.003800706157770337, -0.009375084596190039, 0.0031545500375539308, 0.005299543881535862, -0.02122475762038766, 0.0026330195703140056, 0.013025182365835131, -0.000894163811783495, 0.012153026674696414, 0.0026497396595690057, -0.001774425716893374, -0.0011407100118880505, -0.0025238944664944057, -0.006659400111824206, -0.0023481290137972247, -0.016634616513780846, 0.014260257163534865, 0.017586167583361772, 0.005516873971039946, -0.007898621746538199, 0.0035108496018646587, 0.004684166468730744, 0.004390561640158479, 0.004339237026322948, 0.007148350778903442, -0.0007688586248126721, 0.012443195220600254, -0.004270530388183799, 0.007197832180469566, 0.012059944131246579, 0.009035704673283906, -0.013991587507047777, 0.0047828057200329415, 0.0022377604401231594, 0.002739579094992023, 0.013244987434187207, 0.005550109099503335, 0.003962141894665023, 0.006755925601162857, 0.0030525490339529987, 0.012589474312508358, 0.008257462526173718, 0.003984053395297683, -0.03775899156649263, -0.0015637187097073616, 0.012353476346127486, -0.009461656617542303, 0.0021983437955702123, 0.006116308927515957, -0.004415703266484858, -0.0012592752348708457, 0.02548980901349468, -0.005053021398646817, 0.000974559038794256, -0.010057736160586151, -0.0020249930829087707, -0.00848780386658415, -0.005992777806223122, -0.009310249423104416, -0.005833072482158279, -0.007229852322789081, -0.010034889593906266, -0.007219620752886857, 0.005270792094789126, -0.003249029729640455, -0.009439174301795512, -0.0012456413305875008, -0.005963100426534831, 0.0027490674985320342, 0.001052273778951006, -0.005635590280071425, 0.006112357489090894, 0.004266798484909532, 0.010821473436477323, -0.0091014018839342, 0.0009644495774570774, 0.0033763545461530206, -0.0011878996730190483, 0.0010194659606288135, 0.009548004666813374, -0.00977217827806836, -0.0039889192879753455, 0.005927952391849553, 0.004062119949274422, -0.0024741823141045806, 0.00724957966698042, 0.0023903725613398687, -0.0011723179136858327, -0.0035627573660658783, 0.00023191529570128734, 0.0006876478062463338, -0.0008757351664486937, 0.0037290711127012073, -0.0038042390266610866, 0.012644801471807226, -0.0016232376566571323, -0.0027728845874188147, 0.0058899335158826395, 0.006620363103026872, 0.0028994775805049125, 0.006444082236451875, 0.0058314701742530695, 0.004646887502279666, 0.0006752601527271237, 0.0024486157304751946, -0.004592051497694901, 0.001560260916814237, 0.003668942050165553, 0.004305912967413338, 0.0038094210413625695, 0.005275738604581581, -0.01088656597225946, -0.007125430489196007, 0.004740794401681124, 0.0043038878047618224, 0.004059488225767934, 0.0012521383275985994, 0.00500414041778267, -0.0066188847971943715, 0.006844280712626165, -0.0034676910954146985, 0.00025538966011733673, 0.003983154510598019, -0.002837412373409848, -0.0029781325159831127, 0.005733311107501062, -0.001694616516349498, 0.006228819381613813, 0.001615813582241887, 0.009193741467706242, 0.007124210543737564, -0.001383873228141083, 0.00026141171948030153, 0.006918049518348993, 0.0006057715459345243, -0.0031454956922514006, 0.015424424585501011, 0.007015344933025284, -0.005783960563021088, -0.0045580595516703905, 0.007692061758339673, 0.001353127439995661, -0.006325123548749573, -0.0027153166139308963, -0.0016207351073758644, -0.00044701750623457327, -0.0036447370679932095, -0.0010052165759703987, 0.0064871265094710575, 0.003773020808406836, 0.0015135524505607552, 0.008954621868870442, -0.008325768259128433, 0.004156623383707988, 0.003590943229671008, 0.00607133027408054, 0.00554396702965529, 0.004573630690207594, 0.00115566049961976, 0.0013703624958365352, -0.007648303393636853, 0.0010813442586588811, -0.004809676102385773, 0.006987550366162431, -0.00042367134937163707, 0.03349758267952627, 0.009688765541761016, -0.011768117522443876, -0.02968893936360178, 0.011083240643669586, -0.002620759858985642, -0.012951548135913126, 0.02981236064102617, -0.024666044942032016, 0.011717052611011287, 0.004579168745360156, -0.013604627321398383, 0.000800596151054933, -0.004712412568593277, -0.0035460979314174434, -0.0016483252914334084, -0.014021184270031744, 0.01928049804587173, -0.003494393548476547, 0.009832669240432627, -0.007199827930116643, -0.008710065782700305, 0.005229107799115628, -0.004513460578994384, -0.013422762300553505, -0.00953909053219477, 0.01873887389431111, 0.018924874898808716, -5.4220659014431736e-05, -0.00812419864988358, 0.03310565441116982, -0.024233780869036665, 0.026076045139606416, -0.00670498402894114, 0.02019974680010758, -0.022974552326812742, 0.019746389671881248, -0.010265583673888913, -0.021214114797450164, 0.006310051400072846, 0.008230956336279436, 0.007777504226483948, 0.008561376310436785, 0.004577560983972975, -0.007383933772200619, 0.013274583715859701, 0.007698231363171333, 0.006581280335556797, 0.013479120842592526, -0.005002547710841615, -0.007307280379324282, 0.014394998561777093, 0.006676307469904296, 0.007513207200139114, -0.005474034394352517, -0.0027817751372355183, -0.0009832697053899211, 0.0019973461915094694, -0.0009473561543436468, 0.0090932972338845, -0.0036134372540491295, -8.885621225696748e-06, 0.004485284403090422, -0.0038471495658630285, 0.0024532569025153984, -0.007109465045135593, 0.001565810153297396, 0.006278720460152487, -0.001103160720462563, 0.00213622725452903, -0.013311779646873483, 0.004005114207864225, 0.006969173283504522, -3.2741294390619324e-06, 0.002072002948991044, 0.0003792023162643475, -0.004920603384666935, -4.0223178604187644e-05, 0.0031903926480805417, 0.001773195260259361, -0.0004791917875309173, 0.0021910109937934787, -0.002489883689092022, -0.001001749469796598, -0.000563021154707581, -0.0013095257033314484, -0.00031894521757211023, 0.0009059919167037968, 0.0033753678688502415, -0.00801009271214222, -0.004090771835151731, -0.004334373877622458, 0.004153635202704857, 0.0009028983344863969, 0.0010691688744003695, -0.0052190846464497224, 0.0003976984748330901, -0.002309705872013976, -0.005345137472524234, 0.004839019651174758, 0.00410717886832887, 0.002410256299149565, 0.006913322769756095, 0.0012009363905651277, -0.0011131734932518249, 0.0029101404787926274, -0.0010812521782847468, -0.0008754155241590787, -0.0050173215155413205, -0.006484167933819299, -0.011108408845642832, -0.007050769475756663, -0.0017239896707329646, -0.004534479899305332, -0.003434125294457407, -3.836068935388926e-05, -0.012688128028656482, -0.003656725594760296, -0.002961238298146159, -0.00032081435218463616, -0.0004298541886166447, 0.0005987221102346419, -0.006798684808445319, 0.001093379241841377, 0.0005537850791809719, 0.002833048580001789, 0.0058745737755538175, -0.0059206937088899115, 0.004865780979599304, 0.0012786451998695245, 0.0027721017245441355, -0.0056126385130638974, 0.002761864578036972, -0.007321110382166599, -0.010172706460572762, 0.0017677083583171333, -0.00891934987238453, -0.006460801967176489, -0.003148055555250644, -0.0067416784927650025, 0.005386108560449543, 0.0017063588931823042, -0.002334339412425477, -0.0018315476772325257, -0.00878743595674199, 0.010498398428465104, -0.003182742456607814, -0.00030158955231354473, -0.005672655704903878, 0.000183784846268525, 0.0034857676910274088, -0.0028354754893810826, -0.003577999947878976, 0.00037276960247726513, 0.0019006045134475197, 0.005423973168432491, -0.004263063872702814, 0.003477826077041412, 0.0014616944791694998, 0.0009245979144155056, -0.009137768623445707, 0.001454954310580893, 0.0059440848703041435, 0.0006500773355615766, -0.00904616864153859, -0.004347667697992407, -0.013809721069423402, 0.003555217468336775, -0.00496752044794539, 0.00236712586660773, -0.011402661790235191, -0.010414587957424785, 0.009446854304042358, -0.0044860322807855025, -0.012465227674036154, 0.010931932826683801, -0.016633482139101274, -0.025055754275793995, 0.007623811838539, 0.00012948151307004912, 0.004366808144164618, 0.007563820062242929, -0.011457290917221306, 0.0067767916397201, 0.00019735051093220946, 0.0018781046322139958, -1.480146607555666e-05, -0.007590062664772523, 0.0032621364743401996, -0.008351334936581072, 0.005626789385873194, -0.0019948301724852335, 0.015487206509140499, 0.008462876250931799, -0.0071644679179338295, -0.02707708428120509, -0.007111007731573295, 0.015111913793183175, -0.001475228209997023, 0.011124310296537404, -0.008782712503921089, 0.0204957972323704, 0.01631638948812547, -0.021259416223091396, 0.019429641719372583]]},
 "magmom": 0.0,
 "mtime": 24.97352594429937,
 "numbers": {"__ndarray__": [[138], "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, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 8, 6, 8, 6, 1, 1, 1, 6, 6, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 1, 6, 1, 6, 1, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 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__": [[138, 3], "float64", [11.91867838473988, 18.854802699027854, 9.589932671512166, 11.48733702843115, 17.466493663658074, 9.604877931496075, 10.132878570064968, 17.04891055360352, 9.638547562825915, 7.470605885377845, 13.198670391780386, 9.563576058865708, 17.743810680789892, 15.950456433883282, 9.687053172632499, 17.759276190018483, 13.205860594994409, 9.679330599049957, 13.986814014055401, 19.706159066773143, 9.565168600261199, 11.243749238735377, 19.726190263835957, 9.582951307474655, 7.453976655783753, 15.940662733692681, 9.573031501952535, 13.975089468242844, 9.423428380835741, 9.670671868894656, 11.230529495319061, 9.430582478083277, 9.697049565424956, 13.292198276679564, 10.289230272976079, 9.668047339676113, 13.713913689640897, 11.677404221761943, 9.653122833641202, 15.073392683667212, 12.10318880575299, 9.656507773925483, 11.914155692440227, 10.295458985329363, 9.678783566955252, 11.500342383052207, 11.689524314798792, 9.659139080755216, 13.297170698700167, 18.846414365294095, 9.584623418901247, 10.154551033362775, 12.123004143287732, 9.637541457751531, 16.882045482634574, 15.263202955915906, 9.677487038112956, 13.708345485615025, 17.45296723100296, 9.6066776013842, 15.488301645865619, 15.675612633989582, 9.657287531911274, 16.890240974514143, 13.885121804798692, 9.674315242350591, 15.501795832274068, 13.461780111508089, 9.656931115738738, 15.058077022233746, 17.022418514109738, 9.63908754765708, 8.324754089807072, 15.264879213111708, 9.578925492930006, 9.713607828227243, 15.695061214060635, 9.593396473401839, 8.331988836713323, 13.886471315936008, 9.57701032327828, 9.72573849518119, 13.473747304378653, 9.59801052168489, 12.592990141182668, 16.626096493700473, 9.609283831365193, 12.616543439773233, 12.518974551919385, 9.648709400813669, 14.659950998617752, 14.558830673416697, 9.648349752897579, 10.553653804902716, 14.588141884265859, 9.598708939016653, 12.60433797285348, 14.574504885384709, 9.6236064059552, 16.120339602247967, 18.08563613097123, 9.646814774588218, 16.627894165547605, 18.574620402765095, 10.867674935297678, 16.614846490993386, 18.594470832889957, 8.429044705362362, 17.61939355798837, 19.578653861010388, 10.892947969681119, 16.230594452588676, 18.15174529162259, 11.808185033087524, 17.61025016396391, 19.59377457821515, 8.40968579192374, 16.20070220143724, 18.1918232751152, 7.486477321852725, 18.086435791558703, 20.072704591980813, 9.652787366709484, 18.858306043266822, 20.867668901703667, 9.655415046735618, 18.175232854258617, 20.142071894886126, 12.219932135656132, 17.75902735510864, 21.629000941092002, 12.341709500508458, 17.635532572290597, 19.384885692266728, 13.452479877661922, 19.720459244065268, 20.030266694195493, 12.224434336237646, 18.15598028962817, 22.2365643267094, 11.497928922159673, 16.649973455568873, 21.72979854941221, 12.338418496132661, 18.143820320239954, 22.06801996188896, 13.290975747979966, 17.893675336316917, 18.30239671426917, 13.420685542192437, 18.086448192646106, 19.810446818507124, 14.37777202892461, 16.530136187556945, 19.47469916778028, 13.550771531255965, 20.136853611250817, 20.409640192691285, 13.185746814149688, 20.042293121785892, 18.971739111856873, 12.100788351862896, 20.18264666258498, 20.621577244484406, 11.40276826101659, 18.164286309167768, 20.16583749581494, 7.087119347183189, 19.700988236932215, 19.975544444006267, 7.055386575907764, 17.568412114037436, 19.461587245103487, 5.849262806431643, 17.815835080230947, 21.673206146799814, 7.003763309896401, 20.200796209729653, 20.509729396987797, 7.893541174053366, 19.963681025182016, 18.89648502702464, 7.135542802509959, 20.12565844944122, 20.366929477928437, 6.102332975254633, 16.465892932048863, 19.59910295181747, 5.784094905123529, 18.012905264975366, 19.89452607481501, 4.924292954933112, 17.782292075858997, 18.368873879285875, 5.8467104513232195, 18.192346283867955, 22.111897541643344, 6.050787250552553, 16.713534988927048, 21.826162612984085, 7.041630003579838, 18.267681494433415, 22.2466384483088, 7.843809534349104, 9.069663872906226, 18.11421697945419, 9.734650595700094, 8.548940858036275, 18.63286058538739, 10.954395829697633, 8.543994661973622, 18.640741306715874, 8.51112986218783, 7.542353125889322, 19.635997506917448, 10.930546237571376, 8.891321361236335, 18.29269609133143, 12.245955711759118, 7.548122901254799, 19.634929088585917, 8.490437975171602, 9.09611548891815, 18.09078747244591, 7.370636524603269, 7.05543798352656, 20.122379279395883, 9.717697364268744, 7.164334122095264, 20.00935159543452, 11.90064958932832, 7.155411338066114, 20.0277439355248, 7.53790579607982, 6.269435828407381, 20.901284178042385, 9.714624183314772, 8.597177177700392, 18.57757607341508, 6.120070142700127, 9.88411277204493, 17.30204028992827, 12.55396092629118, 9.151425281546524, 18.025889779921883, 5.331273675063106, 8.781814895065002, 19.673334357747574, 5.997302741112302, 7.503129182463045, 18.37968111262535, 6.00443251557321, 9.914365390754217, 17.27146358784741, 13.66452041464304, 10.889307116877891, 17.582369042232386, 12.16549617757839, 9.60670543761063, 16.296425443345452, 12.164404645313743, 9.09105922274954, 11.06251571683992, 9.649175056875261, 8.578923836096836, 10.56849758567291, 8.433350112338575, 8.607487823010603, 10.55536763221679, 10.871812392012531, 7.5819315610467495, 9.570996012849486, 8.416881146704705, 8.980496999841062, 10.981638882983923, 7.490117480320561, 7.60261539923907, 9.565178878796413, 10.900799269857897, 9.036668984977789, 10.952713549607738, 11.809470708058166, 7.107647633365825, 9.094904917832192, 9.661562757415048, 6.319481732024146, 8.316268125683985, 9.665300644345752, 7.045981617428082, 9.006686214359581, 12.22853176822407, 7.186843382076819, 7.464178325550953, 12.237854994213286, 7.7935291102955935, 9.564779054331268, 13.458899035372035, 5.551582515734096, 9.396487325083987, 12.350898819165852, 6.6115020766550785, 6.98907814314673, 11.412234810682607, 8.252460884218374, 7.162739163345839, 12.125276770768323, 6.806436578822613, 7.04507118016456, 13.19752048011121, 7.690341050333198, 10.670126416220535, 13.54319013330259, 7.368883668152753, 9.118748057789782, 14.386997254273004, 8.878878607964438, 9.317683159040017, 13.43269331126913, 5.123032274549924, 9.006047813555083, 13.302844332146929, 5.430496542754982, 10.503760633639335, 12.346981289460471, 4.949015830054089, 8.987213298486196, 11.509748955266184, 7.016327074249199, 9.011236489261131, 7.093705040442197, 5.508805842939946, 9.356168779456718, 7.0022546142504725, 7.723757224446934, 9.605908697820988, 5.856699809978353, 7.2095861612157, 7.47437709637599, 7.063129200326783, 4.93071820906638, 8.905961505015508, 7.840097717589078, 5.353113317314847, 10.458487414947301, 7.036440944617674, 5.078685700341155, 8.975178421895144, 6.047694009516944, 8.816337403225823, 9.39020845440959, 5.856598148313511, 7.292846808686882, 9.159374962650052, 4.931965168021306, 7.585945181859131, 10.708401654435542, 5.789165095320098, 6.819055077201053, 7.051375722619525, 6.108913128334465, 8.288401168242498, 7.210475923804307, 7.142729669643365, 6.674156788561757, 6.971484957990812, 7.899258336665984, 16.08401889231658, 11.09190387898527, 9.674424187422376, 16.9586881174449, 10.219944218557915, 9.700232905872971, 17.972731997590888, 9.210562061900017, 9.723032134637126, 18.470391981327598, 8.71753750983291, 10.961241754394425, 18.492996914436937, 8.68594448344493, 8.506030698091335, 19.459158588045092, 7.727087803416417, 10.98030420435891, 18.064247509340426, 9.128550338655037, 11.90540450071176, 19.48051718113977, 7.695410784079923, 8.530358181894494, 18.10260116825638, 9.075231130797205, 7.546870405489782, 19.970278635746563, 7.2103089831487575, 9.76546107557919, 19.849251686927566, 7.341691872976003, 11.940296564335931, 19.899715383378144, 7.270907806870152, 7.597182107075228, 21.023635289268796, 6.156171006807035, 9.732976074606752, 21.508219052778458, 5.668383944181814, 8.709235033847689, 21.417288080214707, 5.766766026994005, 10.995112035835247, 22.10761313456484, 5.078760799448375, 10.815642822580632]]},
 "unique_id": "96eac5552ea0ddcbbb24a8ad6b23a374",
 "user": "cmr"},
"ids": [1],
"nextid": 2}