{"1": { "calculator": "asap", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [24.88937280228644, 0.0, 0.0, 0.0, 24.889372714931703, 0.0, 0.0, 0.0, 24.889372612244774]]}, "__ase_objtype__": "cell"}, "ctime": 24.38126486530757, "energy": 55.785984, "mtime": 24.38126486530757, "numbers": {"__ndarray__": [[309], "int64", [47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [false, false, false]]}, "positions": {"__ndarray__": [[309, 3], "float64", [12.444686464578968, 12.44468638994531, 12.444686286758845, 12.444686450888712, 13.857819600648561, 10.158188782129741, 10.15818886549956, 12.444686405630389, 11.031553069286465, 12.444686447602884, 15.29832053797806, 7.827409315037558, 7.827409370165551, 12.444686418790615, 9.591052151301009, 10.104508861840324, 13.890995691395045, 8.658199460790282, 12.444686444034703, 16.75585530848008, 5.469068479134497, 5.4690684947858355, 12.444686438112251, 8.133517385588124, 7.7405367382566785, 13.905195106381514, 7.174209297434273, 10.081533767859534, 15.352010761651403, 6.280027989008679, 8.58885229440545, 16.30052053388939, 8.588852202754147, 12.444686462948706, 18.199343588561607, 3.133455352591815, 3.133455354052007, 12.444686472968321, 6.690029099479609, 5.374209256771796, 13.89790722405716, 5.723530754236362, 7.722343224480181, 15.363255008626256, 4.803774582185695, 10.09332597405714, 16.81448146858228, 3.920988491575285, 6.199356118506934, 16.311556137341334, 7.107847246131059, 8.577816697822273, 17.78152551369045, 6.199356065229163, 11.031553244556667, 14.731183955733604, 12.444686309746276, 10.158188851191646, 12.444686395347295, 13.857819454455537, 9.591052297407044, 17.06196342554005, 12.444686326234804, 7.827409368462623, 12.444686384365701, 15.298320366825713, 8.658199575044433, 14.784863974565301, 13.890995568825362, 8.133517474722389, 19.420304248888698, 12.444686338113858, 5.469068523992375, 12.444686354548036, 16.755855180146057, 6.28002810237927, 14.807839055392012, 15.35201069456759, 7.174209368035973, 17.148836047564203, 13.905194989411605, 8.588852312661565, 16.300520507755344, 16.300520440727645, 6.690029164639181, 21.75591736287575, 12.444686350015008, 3.1334554011569367, 12.444686330602504, 18.19934350273793, 3.9209886734410304, 14.796046868600646, 16.814481553659054, 4.80377466117564, 17.167029554902367, 15.363254957513222, 5.723530714687083, 19.515163442643264, 13.897906989824527, 6.199356221361255, 16.311556048583867, 17.781525524625923, 7.107847239490885, 18.69001659363744, 16.311556047422766, 11.03155319461879, 10.158188829766312, 12.444686225767137, 9.591052225662008, 7.827409360001529, 12.44468617865993, 8.65819953286182, 10.104508833500065, 10.998376944658515, 8.133517398401828, 5.469068512582504, 12.44468615038851, 7.174209297104004, 7.7405367483452325, 10.984177535221557, 6.280028035725179, 10.081533747774573, 9.537361859763195, 6.205815689155255, 10.061649855407541, 12.444686207443407, 6.690029079212267, 3.1334553841175428, 12.444686131825781, 5.723530636753837, 5.3742093342402475, 10.991465528815697, 4.803774558893927, 7.722343244599922, 9.526117628925723, 3.9209885772931035, 10.093325932734446, 8.074891056160045, 4.717990266532395, 7.676368953645406, 12.444686219338289, 3.8094991945256123, 10.05482946957671, 10.974716771650233, 8.658199579691626, 14.78486398121316, 10.998377028488196, 6.28002805667586, 14.807839073683633, 9.537361981381657, 7.174209373940153, 17.1488360601116, 10.984177658144384, 6.205815735849087, 14.827722940684088, 12.44468631945866, 3.9209885249251, 14.796046898750916, 8.074891289927425, 4.803774603319444, 17.167029574777878, 9.526117799942194, 5.723530778033011, 19.51516349550688, 10.991465588915403, 3.8094992094122055, 14.83454327069875, 10.974716938386944, 4.717990331865969, 17.213003826639362, 12.4446863311502, 7.764331250374427, 12.44468640440493, 12.44468625147089, 5.377384055911546, 12.444686404085372, 13.891501966105272, 5.37738403899685, 12.444686387345302, 10.99787057649787, 3.022848801584514, 12.444686444703335, 15.361260736453382, 3.0, 12.444686394979108, 12.444686299757777, 3.022848757103718, 12.444686347893303, 9.52811186245972, 3.8094992643594754, 14.834543323171694, 13.914655823979327, 12.444686429977637, 11.031553186936076, 10.158188746667118, 12.444686410769716, 9.591052228473817, 7.827409273544102, 12.444686426961633, 12.444686395182982, 7.764331186615883, 12.44468638954388, 8.133517412994237, 5.469068451452592, 12.444686362460894, 10.997870661236936, 5.377384019244604, 12.444686426346362, 13.891502088212347, 5.37738401831993, 10.061649846967061, 12.444686392976667, 6.205815648742131, 12.444686389551642, 6.6900291221249235, 3.133455320604984, 12.444686271187704, 9.528111899243415, 3.022848771445398, 12.44468635299773, 12.444686357782846, 3.0, 12.444686496369469, 15.361260815781582, 3.022848763497345, 10.054829404767661, 10.974716886855026, 3.809499203569958, 10.054829507845806, 13.914655811700282, 3.80949916898423, 13.857819661831442, 14.73118391875602, 12.444686361571906, 15.29832061705425, 17.061963403776296, 12.444686424715531, 12.444686460641643, 17.12504153188654, 12.44468636913115, 16.75585540390628, 19.42030423171188, 12.444686476639665, 10.997870727183555, 19.511988702245162, 12.44468638621518, 13.891502168138551, 19.51198870254579, 12.44468640968187, 12.444686467554932, 18.68355703583321, 14.82772293909462, 18.19934369380486, 21.755917348898826, 12.444686512792543, 9.528111950548544, 21.86652393883565, 12.444686444044118, 12.444686431153768, 21.889372714931703, 12.444686420833712, 15.361260911654012, 21.866523944634125, 12.444686396454529, 10.97471696734346, 21.07987348744117, 14.83454333241259, 13.914655904851431, 21.07987351234111, 14.834543327523274, 10.998377112947665, 8.658199525706866, 10.104508661193135, 9.537361966104026, 6.280028056874027, 10.081533519053428, 10.984177729695176, 7.174209295984918, 7.740536600464978, 8.588852243735445, 8.588852268123564, 8.588852119040842, 8.07489110563383, 3.9209886243353154, 10.093325645420105, 9.526117765765878, 4.803774580271225, 7.722343033351586, 10.991465747117509, 5.72353063880091, 5.374209205273021, 7.107847146250799, 6.1993561708968095, 8.577816515914916, 8.577816668982958, 7.107847164257658, 6.199356053948486, 10.998377167696665, 16.231173263271298, 10.104508760648946, 9.53736205633492, 18.609344732708777, 10.08153367446131, 10.984177750914458, 17.71516342839479, 7.740536672924171, 12.444686439262655, 18.683557077929127, 10.061649832298185, 8.074891293889138, 20.968384208856335, 10.093325874811777, 9.526117815977264, 20.08559814122256, 7.72234315500722, 10.991465669302036, 19.165841972274634, 5.374209215211196, 10.97471697208543, 21.07987355282372, 10.054829493275012, 12.444686376488253, 20.171382453364032, 7.676368923671293, 13.890995737150249, 16.23117324656433, 10.104508816091766, 13.905195094398545, 17.715163438482612, 7.740536742855498, 15.352010840827386, 18.609344708839227, 10.081533773331099, 13.897907079167204, 19.165842045559064, 5.374209321087242, 15.36325501337764, 20.085598146680606, 7.722343271039237, 16.814481665205808, 20.96838413627183, 10.093325977549222, 13.914655901168041, 21.0798735344397, 10.054829491007283, 14.731183994852435, 12.444686379165365, 11.031553156321607, 17.061963497724236, 12.444686373518064, 9.591052240855491, 14.784864028208142, 13.89099567105773, 8.658199525365102, 19.420304317043225, 12.444686375070033, 8.133517457147551, 14.807839116302175, 15.352010767285952, 6.280028063942916, 17.148836100515076, 13.905195032170948, 7.174209345310385, 16.300520586698795, 16.300520518560987, 8.588852297841445, 21.75591742847964, 12.444686382355856, 6.690029154048995, 14.796046959967738, 16.814481574641754, 3.9209886217453587, 17.167029610341217, 15.363254951858456, 4.803774626405239, 19.51516349671202, 13.897907011430945, 5.723530705224965, 16.311556134055778, 17.78152556800068, 6.199356196566391, 18.690016666660235, 16.311556072134348, 7.1078472338095455, 14.784864011128422, 10.998377098338466, 8.65819949903997, 14.807839068559908, 9.537362001068598, 6.280028022806473, 17.148836099897824, 10.984177687347469, 7.174209345792651, 14.827722966014093, 12.444686372387869, 6.205815696399894, 14.7960468507224, 8.074891266629695, 3.9209885242035583, 17.167029575490474, 9.526117782194818, 4.803774609658043, 19.515163539073612, 10.991465609100462, 5.723530774910836, 14.834543243233632, 10.974716927136011, 3.809499203091418, 17.213003855791353, 12.444686324485488, 4.7179903168861665, 10.104508838808394, 10.998377122064978, 8.658199436624622, 7.740536726401929, 10.984177760443353, 7.174209258269085, 10.081533713265701, 9.537361975418625, 6.280027994280061, 5.374209289466794, 10.991465810219504, 5.723530645338812, 7.72234318240689, 9.526117797169148, 4.80377457146644, 10.093325855397463, 8.074891116580172, 3.92098857964835, 7.6763689156593, 12.444686459565558, 4.717990273641206, 8.658199525262216, 10.104508827137488, 13.890995464947911, 6.28002802590018, 10.081533723463739, 15.352010541737307, 7.174209312680554, 7.740536728638789, 13.905194831875614, 3.9209885305102983, 10.093325891583234, 16.814481294955616, 4.803774572224738, 7.722343204356366, 15.36325473834335, 5.723530719627311, 5.374209269793776, 13.897906905400824, 3.8094991853131575, 10.05482951179123, 13.91465564165402, 13.857819615891904, 10.158188818440419, 12.444686282170625, 15.298320529598616, 7.8274093035993575, 12.444686288453632, 12.444686374576875, 7.764331226481479, 12.444686225668017, 16.75585529449105, 5.469068438316319, 12.444686308572734, 10.997870630005565, 5.377384046066841, 12.444686167361535, 13.891502056861578, 5.3773840203339445, 12.444686272747159, 12.444686378453268, 6.205815685759754, 10.06164970008747, 18.19934356070756, 3.1334552869515857, 12.444686323101054, 9.528111856999598, 3.022848790245492, 12.444686071072574, 12.444686314940766, 3.0, 12.444686217039969, 15.361260777710202, 3.022848743665344, 12.444686378485857, 10.974716871725146, 3.8094992226869753, 10.054829256979875, 13.914655790305295, 3.80949917208776, 10.054829400739006, 13.890995692490225, 8.65819951035747, 10.104508713953791, 13.905195082450089, 7.1742093099374316, 7.740536636268715, 15.352010749725267, 6.280027999694264, 10.081533639960897, 16.300520550910925, 8.588852220678149, 8.588852208743546, 13.897907160435, 5.723530730231892, 5.374209191317749, 15.363254973488987, 4.80377456069948, 7.722343134625343, 16.814481452153494, 3.920988478747134, 10.093325857354149, 16.311556122584363, 7.10784721837682, 6.199356074504943, 17.781525520140807, 6.199356055148713, 8.577816613308517, 16.231173289576226, 10.104508779893312, 10.998377054322825, 17.7151634372299, 7.740536659228531, 10.98417764296068, 18.60934477703622, 10.08153369251823, 9.537361997911447, 19.16584197500653, 5.3742091811650745, 10.991465563875137, 20.085598169558892, 7.722343154420042, 9.52611774857511, 20.968384264103584, 10.09332590109795, 8.074891270004585, 18.69001668471282, 8.577816633011281, 7.107847228345525, 7.10784726633839, 18.690016650875275, 8.577816627358496, 12.444686397316934, 11.031553153954288, 14.731183803506042, 12.444686324432608, 9.591052184881546, 17.06196325411381, 10.998377073084754, 8.658199517749772, 14.78486376120155, 12.444686226079394, 8.133517363529903, 19.420304076570527, 10.984177579253554, 7.174209318465842, 17.148835838003535, 9.53736195313645, 6.280028034917004, 14.807838810801197, 8.588852204289319, 8.588852252392478, 16.30052027370956, 12.444686126524457, 6.690029038981571, 21.755917199146996, 10.991465377626305, 5.7235307336183014, 19.51516328890991, 9.526117628759394, 4.803774597622171, 17.167029324472857, 8.074891201419094, 3.920988531657498, 14.796046596999078, 8.577816522389229, 7.107847259241065, 18.690016413940832, 7.107847177101693, 6.199356114990735, 16.31155584675214, 14.83454334368367, 13.91465582901374, 3.8094992309673454, 12.444686421814346, 4.717990268450204, 7.676368817849821, 16.231173332153897, 14.784863945720438, 10.998377130698184, 18.60934478898897, 14.807839044730141, 9.53736203774586, 17.715163530475543, 17.14883602173566, 10.98417780845605, 20.968384197590126, 14.796046891628636, 8.074891190738139, 20.085598223221215, 17.16702955239134, 9.526117869911728, 19.165842150882412, 19.515163433861947, 10.991465859015154, 17.781525639047658, 18.690016614510082, 8.577816775964603, 14.731183982348195, 12.444686340095299, 13.857819519036774, 17.06196346122053, 12.444686251401148, 15.298320505668256, 17.125041610180407, 12.444686336196026, 12.444686376327963, 19.4203042802892, 12.444686125088822, 16.75585534663337, 19.511988790879254, 12.444686363838674, 10.997870690684131, 19.511988778008224, 12.444686238683325, 13.891502118733165, 18.683557162879367, 14.82772287450435, 12.444686446385559, 21.75591737888792, 12.444686009963256, 18.19934368620566, 21.866524026783267, 12.444686444375156, 9.528111937090296, 21.88937280228644, 12.444686292821743, 12.444686421796208, 21.866524007401985, 12.444686061211588, 15.361260906131793, 21.0798736125996, 14.83454329229821, 10.974716969331723, 21.079873638107628, 14.83454311492744, 13.914655917200626, 10.104508801257051, 10.9983770902206, 16.231173054134384, 10.081533642575906, 9.537361992048671, 18.60934452488093, 7.740536697647446, 10.98417767183886, 17.715163229440723, 10.061649851297819, 12.444686347456363, 18.683556883935516, 10.093325743955404, 8.074891258110682, 20.968384027451513, 7.722343119773655, 9.526117762042798, 20.085597965287093, 5.37420924920217, 10.991465551974214, 19.165841829498497, 10.054829461973965, 10.974716902223452, 21.07987336977886, 7.676368951058183, 12.444686282568272, 20.171382282603712, 12.444686453665566, 13.857819573575942, 14.731183848869998, 12.444686474915231, 15.298320479123282, 17.06196335031739, 10.998377177391793, 16.23117322889715, 14.784863896518393, 12.444686502090232, 16.75585522214267, 19.420304217947262, 10.984177831115714, 17.71516339182444, 17.148836002779166, 9.537362047885258, 18.60934468357554, 14.807839016963243, 12.444686503685443, 18.199343458970866, 21.75591738151394, 10.991465884447962, 19.165841977931418, 19.515163442901887, 9.526117887304794, 20.08559809267413, 17.167029540882414, 8.074891195235391, 20.96838410036183, 14.796046865253414, 12.444686549227098, 20.171382387866203, 17.213003866329267, 20.17138254782993, 17.213003774347335, 12.444686532505466, 6.199356121147247, 8.577816721441883, 7.107847081619716, 16.231173322334698, 14.7848638970545, 13.890995677711794, 17.715163511247773, 17.148835978595745, 13.9051951454023, 18.6093447933092, 14.807838882592323, 15.352010807010204, 16.300520620788298, 16.300520406000242, 16.30052055483452, 19.165842069108237, 19.51516342569302, 13.89790727096935, 20.08559821607555, 17.16702938561386, 15.363255095395266, 20.968384261734833, 14.796046555111067, 16.81448158479686, 17.781525616428308, 18.69001653450527, 16.311556212226947, 18.69001673619387, 16.311555868035995, 17.78152560969488, 13.890995762309924, 16.231173214261435, 14.784863955349799, 13.905195192654173, 17.715163355905943, 17.148836073594783, 15.352010853467402, 18.609344684382464, 14.807839113390257, 13.897907297895012, 19.165841874764297, 19.515163555125795, 15.363255107341729, 20.085598073350052, 17.167029655731582, 16.814481575883647, 20.96838417112959, 14.796046963143349, 16.31155622924131, 17.781525350170458, 18.690016722269245, 6.1993560623960455, 8.577816642215257, 17.781525278037066, 10.104508859012054, 13.890995654959138, 16.231173099145447, 7.740536769904842, 13.90519501022345, 17.715163293617017, 10.081533792014522, 15.352010730555207, 18.609344589230698, 5.374209364144482, 13.897906952455491, 19.165841956800964, 7.722343287901241, 15.36325490354686, 20.085598034959364, 10.093325978376726, 16.814481504792518, 20.96838406068661, 10.05482949516631, 13.914655772674543, 21.079873383985387, 8.577816784185758, 17.78152553714553, 18.690016559366292, 12.444686301319758, 6.205815669398684, 14.827722745842538, 13.914655735099984, 3.80949917582347, 14.834543184666245, 10.974716838748385, 3.809499182678776, 14.834543042827015, 12.444686409189723, 12.444686330744608, 17.125041400405536, 12.444686363010657, 10.997870583530194, 19.511988555344658, 12.444686423159132, 13.891501995839864, 19.511988602635963, 14.827722943302701, 12.444686230563438, 18.683556971904785, 12.444686336170417, 9.528111809562851, 21.86652380396081, 12.444686390114812, 12.444686246230006, 21.889372612244774, 12.444686390797653, 15.361260686113209, 21.866523895334815, 14.834543269595695, 10.974716690449377, 21.07987340644725, 14.834543306385113, 13.914655606900475, 21.07987349072755, 14.784864024076679, 13.89099558555318, 16.231173193833627, 14.807839136891342, 15.352010617493885, 18.60934470540574, 17.148836100531632, 13.905194865824823, 17.715163428584688, 14.796046957318111, 16.814481294117172, 20.96838423281111, 17.16702963101956, 15.363254707763168, 20.085598191686458, 19.515163523443807, 13.897906803830525, 19.165842056314116, 17.213003822044925, 12.444686118443332, 20.171382418034877, 13.890995630593265, 8.658199472647457, 14.784863821672797, 13.905194899487512, 7.174209231773206, 17.148835875944897, 15.352010701745058, 6.280027974583692, 14.807838936619037, 13.897906767293934, 5.723530560785362, 19.515163274348396, 15.36325478302711, 4.803774481430884, 17.16702941933402, 16.81448151143301, 3.9209885189419005, 14.796046810022277, 12.444686138864377, 4.71799024743559, 17.213003636049745, 18.683557105821205, 10.06164975902145, 12.444686349328638, 21.07987360443622, 10.054829453766502, 10.974716929703545, 20.171382466426643, 7.676368833128172, 12.444686282279983, 16.231173260692177, 10.104508732867723, 13.890995592360127, 17.71516343095545, 7.740536619545279, 13.905194962602396, 18.609344716687783, 10.08153353356646, 15.352010731946647, 19.165842041542593, 5.374209183830336, 13.897906950776441, 20.0855981437237, 7.722343003308877, 15.363254900919362, 20.96838413185975, 10.093325570051304, 16.81448159738968, 21.079873560717267, 10.054829285188507, 13.914655840901627, 14.784863952935426, 10.998377005983322, 16.23117313778142, 14.807838966771445, 9.537361831151864, 18.609344569205852, 17.148836016967337, 10.98417750552822, 17.71516337611937, 16.30052044758792, 8.5888521109502, 16.300520404495924, 14.796046709439628, 8.074890954134622, 20.968383985587714, 17.16702945541634, 9.52611747878154, 20.085598044347613, 19.515163409891038, 10.991465378159335, 19.165842052052668, 16.311555905160183, 7.107846972160613, 18.69001646624434, 18.690016530952327, 8.577816411278434, 17.781525484352237, 17.781525483169606, 6.199355987128472, 16.311555972220987]]}, "unique_id": "824fd23bdb08aad55bd0a1cc58766c61", "user": "cmr"}, "ids": [1], "nextid": 2}