{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.892607260398728, 0.01325645503503834, 0.0, -3.4348232024746017, 5.946736057954546, 0.0, -2.1456829036775383e-16, 0.0, 33.19]]}, "__ase_objtype__": "cell"}, "ctime": 24.891126360815676, "dipole": {"__ndarray__": [[3], "float64", [-9.511695581405153e-15, 1.8797579028645994e-14, -2.823636549856246e-13]]}, "energy": -82.04909287152839, "forces": {"__ndarray__": [[12, 3], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0011508267521155293, -0.002138156375966181, -0.0023747113510853295, 0.0030514703096877196, -0.00045285101066324827, 0.00319044025222974, -0.0011508359903461044, -0.0021381614354211913, -0.0023747345127440905, 0.003051457253420968, -0.0004528442580724099, 0.0031904297361097906, -0.003051457253420968, 0.0004528442580724099, -0.0031904297361097906, 0.0011508359903461044, 0.0021381614354211913, 0.0023747345127440905, -0.0030514703096877196, 0.00045285101066324827, -0.00319044025222974, 0.0011508267521155293, 0.002138156375966181, 0.0023747113510853295]]}, "free_energy": -82.07930142978974, "initial_magmoms": {"__ndarray__": [[12], "float64", [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0]]}, "magmom": 1.0290755043663398, "magmoms": {"__ndarray__": [[12], "float64", [0.020483530632758342, 0.3696348615628007, 0.020483530817252737, 0.36963462629825145, 0.00896299184423793, 0.0032676252966712797, 0.008962988083671693, 0.003267625423785566, 0.003267625423785566, 0.008962988083671693, 0.0032676252966712797, 0.00896299184423793]]}, "mtime": 24.891126360815676, "numbers": {"__ndarray__": [[12], "int64", [40, 42, 40, 42, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [0.011480427724763629, 5.9533642854720705, 16.595, 3.457784057924128, 5.959992512989578, 16.595, 1.728892028962064, 2.979996256494789, 16.595, 5.17519565916143, 2.9866244840123137, 16.595, 1.6641756063360724, 0.9604048970075293, 18.13366668056522, 5.237956599470539, 1.0406098129748065, 18.09360208697759, -0.05323599656006255, 3.9337729215440334, 18.133666683104384, 3.5205449992129463, 4.013977845270995, 18.09360208683869, -0.06276094128882174, 1.9460146677185886, 15.096397913161296, 3.5110200544841925, 2.0262195914455496, 15.056333316895628, -1.7801725415464091, 4.91938270001478, 15.096397913022413, 1.7936084515880575, 4.999587615982052, 15.056333319434776]]}, "stress": {"__ndarray__": [[6], "float64", [2.9160393641454877e-05, -8.149607093879621e-06, 4.0424838508740345e-05, 1.1664185542656259e-05, -7.978011485412255e-06, -2.179993577699395e-05]]}, "unique_id": "a08cebd0c752422db27858fd8664c32b", "user": "cmr"}, "ids": [1], "nextid": 2}