{"1": {
 "calculator": "gpaw",
 "calculator_parameters": {},
 "cell": {"array": {"__ndarray__": [[3, 3], "float64", [29.23173, 0.0, 0.0, 0.0, 29.22728, 0.0, 0.0, 0.0, 15.084399999999999]]}, "__ase_objtype__": "cell"},
 "ctime": 24.382945934154712,
 "dipole": {"__ndarray__": [[3], "float64", [-0.6428134498376279, 0.6422608826085556, 0.5097633615623445]]},
 "energy": -592.0072294709635,
 "forces": {"__ndarray__": [[88, 3], "float64", [-0.016585380259948157, -0.009978252397439602, -0.0051132749271939875, 0.010600001714621297, -0.016023856416661264, -0.010412075861473413, -0.005589715731182301, 0.00560887273524301, -0.02042054325465215, 0.012973262794254477, 0.021715923580562606, 0.0020094074131863406, 4.1634906557715854e-05, -0.015952029639009154, 0.0031655249410306586, -0.0015912086377129347, -0.014008068990892074, -0.0036035905227724528, -0.021782465233380895, -0.013422093372813745, 0.0020474185086211106, -0.011158179948110974, -0.004303494803294689, -0.0018473164933103532, 0.003917396506806605, 0.011857447346831062, -0.001815882797813721, 0.013515018330376738, 0.0006794470090011571, -0.0036002698510183397, 0.01637128637457984, 0.0016933088282830619, 0.0031111714571914546, 0.018807239837376685, 0.0018237169727794882, -0.005228297795423721, -0.018382219531926036, 0.020102778227543958, -0.0028758289361549582, 0.0015303233555474247, -0.001622729744786629, 0.00708677131252531, -0.0042702348829799786, -0.010934154554868635, 0.0006009685478672374, -0.014942814985537192, -0.008743956447023537, -0.00030574320038158776, -0.00856478274417503, 0.0028527871572226163, 0.0014958876156071397, -0.004313943666268267, -0.0004502854635694713, 0.0015791992589504783, 0.010554954223957157, 0.0032753114046413204, 0.0007029294582077745, 0.005380714692141408, 0.007053583516736275, 0.0010279589938287305, 0.008852468895173491, 0.01507403430017637, -0.0001809539826518745, -0.0024402262277092553, -0.016282709364828077, -0.005106386026063072, -0.019529022671328077, 0.018641069859411386, -0.00289567577712097, -0.00017834153880870736, 0.00515739625221853, 0.0014070543037037631, 0.01012565107276121, 0.015553216815087145, -0.005093943300238616, 0.015891508518210175, -0.011024406397984618, -0.010396574275708951, -0.002438708687869717, 0.009339660292874627, 0.0014310719414664583, -0.006940562903938101, -0.005163385750622084, 0.0009052421128870701, 0.019254124273780784, -0.005376926721342437, -0.002472698071673245, -0.029375664328627163, 0.010838427370777453, -0.0029237779731178947, -0.010285409031184824, 0.029871494207307257, -0.0029067961905428147, 0.005709119535625915, -0.01889030449096652, -0.0025025131617965077, 0.004778935648415302, -0.004931679536963662, -0.0015509050458335004, -0.017727257335104513, -0.0076674804265237624, 0.0012312678640951594, -0.004510473259008114, 0.0020242239549802684, 0.006408817408346484, -0.0053089653698576295, 0.00211039499215022, -0.005966555127680897, 0.006464966428266609, 0.004420379510279707, 0.022365286740242015, 0.005080927208983913, -0.00014478200995197887, 0.01964057375495086, 0.005599467875112798, 0.004517593717343622, -0.021594919861307866, 0.005316480354948682, -0.00025804447897919346, -0.019205341178908302, 0.0020128037854437245, -0.0022044083940385146, -0.00021670556254210722, 0.006300095495033582, 0.003592612155957828, 7.4971542112815605e-06, 0.009625547918390287, 0.00504413529593248, -0.018651694925845636, 0.009781461487630892, 0.004817176598440752, 0.018861157475245693, -0.009492732454284504, 0.009148797872473562, -0.018233398962430678, -0.004174892819052845, 0.0030544898707481755, -0.005242918047531576, -0.0002893801884968849, 0.0008596947985223384, 0.006452644846862907, -0.009129281184030459, 0.009152334751071746, 0.011985426763064801, -0.015536544120541892, 0.015020105751623105, 0.0037141397388253386, 0.00021216782379788172, -0.0007998561059161478, -0.020172504693279678, -0.01773296309030535, 0.01686235102895253, 0.024708955959375282, -0.009374443724981956, 0.007743640382207494, 0.016993579893498197, 0.0046203817484186255, -0.003837344153455906, -0.01495864895163547, -0.017892395780932352, 0.017638822345534055, 0.00948360894595498, 0.02516014575860764, -0.025654186065792128, -0.03126616689138446, 0.016860840413292562, -0.015750835675065973, 0.006629201684757391, 0.01874436972494691, -0.019527911374571136, 0.007003781967409363, 0.014363614372293965, -0.014723595032279, -0.016043722933222204, -0.0005746244064987237, 0.00023835576122676738, 0.010319724750267475, 0.0028190459658790014, -0.022229643480185118, 0.009113894894160174, 0.021752438690125622, -0.0026491238241807377, 0.009768096845302143, 0.007814539551289398, 0.01757398832804408, 0.0003659144536702447, -0.0012303929731899107, 0.004580219964547719, -0.005653833608637926, -0.0021700441706331364, 0.004669213539016027, 0.0065307543765839235, -0.0044016207322471685, -0.006028934052209963, -0.021781488597782474, -6.640418748496014e-05, -0.0052012654673675015, -0.019545560503689517, -0.005346960169907702, -0.00574791183502411, 0.0215769255944864, -0.00039809140437125544, -0.005887149082818049, 0.019822623910015907, 0.0020039989422348105, -0.0016513591321650719, 0.00015698335429368708, -0.0037540729450541593, -0.006520913983400477, -0.00033641846919205403, -0.005766426840693729, -0.010169163133829786, -0.01891808626361249, -0.005154832939211455, -0.009369904802166939, 0.01902880369687196, 0.012276525660580316, -0.011808126952670552, 0.008917582064030448, -0.004068106793252568, 0.0016161661928127526, 5.8166244499038906e-05, -0.017603585068082413, 0.013219222222835942, 0.006823328609130922, -0.01847069482022181, 0.019847356397004096, 0.006123466824588015, -0.01965684255927066, 0.016395027775224186, 0.015195990697662825, -0.016664049897527938, 0.017182385474617076, -0.0008776898017788312, 0.003004493997624131, -0.0009627521260129867, 0.01678374799238507, -0.020741817426925428, 0.019814743176021846, 0.001318972713900403, -0.004586777458526484, 0.006957561251531107, 0.018847908850896256, -0.011342781683015167, 0.015587116984764355, 0.0029879257668261193, -0.015569905914011058, 0.014775917877091824, -0.0070011037433772684, -0.03107736839686102, 0.030206139837355622, 0.005946082225819746, -0.02222679046494889, 0.02190607381476756, 0.03416220825778367, -0.0005789186769714457, 0.0007475751408966082, 0.023114053852594435, -0.003771630579336487, 0.004195298938167095, 0.012215776510850988, 0.01864785894082443, -0.019510111055021352, 0.03023387096662149]]},
 "magmom": 0.0,
 "mtime": 24.382945934154712,
 "numbers": {"__ndarray__": [[88], "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, 6, 6, 1, 6, 1, 6, 1, 1, 8, 6, 1, 1, 1, 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__": [[88, 3], "float64", [13.960248532650695, 18.86210928738705, 7.541874829079678, 13.535316024831907, 17.47596692073837, 7.541211415851252, 12.173868574083686, 17.05560204642406, 7.535412123990633, 9.510017036269268, 13.205930713941767, 7.542216502405054, 19.7896978633863, 15.960059308619142, 7.542740878298873, 19.8091141772906, 13.220360796696454, 7.54150088107155, 16.02363593895991, 19.719200523701485, 7.542249276754609, 13.27999981572127, 19.72897986037319, 7.541836754252549, 9.500326905577868, 15.949436568665378, 7.5418649067633625, 16.008387801488585, 9.420047330903063, 7.541503597988568, 13.268924895077486, 9.439715348111179, 7.5426844500608015, 15.333334102427367, 10.291363793539656, 7.54098313890666, 15.76292372926082, 11.677536743468886, 7.539277742899604, 17.126967260008254, 12.102166795033524, 7.533380899881474, 13.955702601997087, 10.301568137456787, 7.542718668757442, 13.544102307714127, 11.694771660283863, 7.542925264120641, 15.337735698710166, 18.855799698388577, 7.542591986227914, 12.19751850662849, 12.13014949862034, 7.542655677699717, 18.927882726026997, 15.273276432798124, 7.542774534068798, 15.750121723827595, 17.46215748824958, 7.543077681131158, 17.53474129389812, 15.685061193185145, 7.542979081314957, 18.937881686054524, 13.895551859174596, 7.5410048901855316, 17.551716680107067, 13.46617956125859, 7.539289018446631, 17.09938690803074, 17.031681273369653, 7.54284835868228, 10.367225121313608, 15.269269167772084, 7.541882990015573, 11.753383626351258, 15.694190115043085, 7.541222541061304, 10.373454887330537, 13.891769413403988, 7.5425525018816, 11.767094060228617, 13.479401754777019, 7.543000823240414, 14.633942503325159, 16.631811788170495, 7.543018221181159, 14.66227081993617, 12.520216869118455, 7.542045779322744, 16.709252259666627, 14.566986582209818, 7.542048830317768, 12.597486821634117, 14.5955284585966, 7.542997670454033, 14.64836830115498, 14.581058837356206, 7.542475845348689, 18.16182321628318, 18.095998760005138, 7.542429531837372, 18.668867476883868, 18.60422351297477, 8.759013512724625, 18.669403626091473, 18.604044017799104, 6.325974532226392, 19.666449079285773, 19.596611251124898, 8.759872785689598, 18.2695233175485, 18.208730420432207, 9.712748745930904, 19.666944872894828, 19.596534719008893, 6.32557027599197, 18.27051624960707, 18.208496924261883, 5.37205629379576, 20.16837497898493, 20.095994456503792, 7.542824394444175, 20.952421349898593, 20.877118156066064, 7.54296873691244, 20.052168914114674, 19.983535628466452, 9.7231909714239, 20.05299091794297, 19.98346982790589, 5.3624011540318435, 11.161035324480823, 18.0685062183425, 7.521970672679319, 10.286468093551656, 18.94316979719997, 7.504975039028314, 9.272087165323098, 19.957224280353596, 7.529184866150576, 8.779764099124817, 20.449283393022704, 8.765470898802537, 8.731182844499024, 20.498297454491073, 6.3273017705617285, 7.786050638023121, 21.44269535025945, 8.818591760093364, 9.196375708235797, 20.033138306051363, 9.702330561213465, 7.743390387635533, 21.48574252122547, 6.370166345135147, 9.102030595071687, 20.12723612698549, 5.353365870277516, 7.261486364016208, 21.967217673322537, 7.613989041631479, 7.42172000983251, 21.807059792635226, 9.797565298522516, 7.315611405693997, 21.91296281451179, 5.443354547750746, 6.2903140588367075, 22.937996201751105, 7.530889684423219, 5.770263116720988, 23.45719580480775, 8.758889283412461, 5.012398544120618, 24.214767590507563, 8.46690700887717, 6.563488857959338, 23.95176839271594, 9.370962822055743, 5.2759056111123765, 22.663342418410462, 9.370278474598427, 11.133097243608953, 11.067855229767924, 7.541919765511037, 10.624747846511948, 10.561082322814585, 6.325275470798849, 10.62495625061041, 10.560399832069944, 8.75834119071855, 9.632153571100234, 9.56366531350077, 6.3244422368935425, 11.020332569241694, 10.960379568654254, 5.3715512389489435, 9.6323267833331, 9.563066722219574, 8.758802072694493, 11.020817941029101, 10.959309049680346, 9.71211459585099, 9.132758439651626, 9.061785994786684, 7.541522484549553, 8.351521136809474, 8.27785900211156, 7.5414341833071585, 9.245514536991132, 9.177057940638077, 9.722022663388802, 9.245157618661235, 9.177987960996537, 5.361123629579323, 18.142713611986746, 11.086632564936647, 7.5256099312833, 19.018578951599633, 10.210956798670795, 7.521122646411706, 20.03519345233596, 9.193663749828536, 7.538686552681365, 20.531830751153645, 8.697402353217011, 8.779011930295272, 20.56740668731699, 8.66016704983492, 6.328551130001245, 21.522757760433855, 7.706470923614448, 8.811853620555175, 20.11885285165895, 9.109630630152923, 9.718659838452421, 21.558047653453794, 7.670413728996683, 6.366141962111723, 20.188925727864984, 9.037249386940745, 5.359547980341402, 22.042781317229956, 7.186511380833746, 7.602566505045854, 21.903911843395353, 7.325591561541893, 9.778533815405874, 21.989278993071103, 7.239063264554162, 5.441463040125867, 23.098556559747166, 6.131730640402823, 7.5649236577381105, 23.581525018905527, 5.648927387057836, 6.538279187050532, 23.49307436746423, 5.737975039848328, 8.823442249481838, 24.18253548791519, 5.049395574337144, 8.641640554438696]]},
 "unique_id": "6de8d1ff1c05d02d8c161e63260e8a44",
 "user": "cmr"},
"ids": [1],
"nextid": 2}