{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.385315, 0.0, 0.0, -2.192657, 3.797794, 0.0, 0.0, 0.0, 4.954915]]}, "__ase_objtype__": "cell"}, "ctime": 24.835174418794384, "dipole": {"__ndarray__": [[3], "float64", [0.008230724912582773, -0.004900203526556688, 0.0009043328967138857]]}, "energy": -50.112335706249915, "forces": {"__ndarray__": [[9, 3], "float64", [-0.006684942883639937, -0.027245258442821576, -0.002359538425398063, 0.03126287770005395, 0.00489263750619226, -0.0023695446721481318, -0.014250737175194516, 0.020365010269185198, -0.00482297512574621, 0.046553377964521005, 0.16298195053355907, -0.10742708685898453, -0.15641344101197657, 0.029569374744181764, 0.10932489086617338, -0.15901072487479437, -0.04336188589517356, -0.10869758148430822, 0.04602039928019865, -0.14750915637773138, 0.11123213240752211, 0.1109381682570682, -0.12162930126397654, -0.1085256828247092, 0.10157313563115897, 0.12197214801332906, 0.11370139816604237]]}, "mtime": 24.835174418794384, "numbers": {"__ndarray__": [[9], "int64", [4, 4, 4, 9, 9, 9, 9, 9, 9]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[9, 3], "float64", [1.2237799998730512, 2.1202800001707325, 0.0, 1.93701993861937, 0.0, 1.6517500001055583, -0.9686954305450113, 1.6778299998363906, 3.3033900001071337, 0.6604099997804656, 3.4736300000628226, 0.44906999986965546, 1.046599999866201, 1.1652400000891652, 1.202620000179185, -1.1458000000857038, 2.632899999832102, 2.100709999871231, 2.852890000143269, 0.3237600001059424, 2.8542500001713074, 0.48539999984631144, 1.489040000080633, 3.7523499998728065, 2.6784799999960125, 2.308789999968252, 4.505890000172883]]}, "stress": {"__ndarray__": [[6], "float64", [-0.06821511707813188, -0.06810862519434861, -0.07328891504326095, -3.7181136837399087e-05, 4.721375884635261e-05, 0.00018009596427953634]]}, "unique_id": "d2e7f22545999a046c19a73d0ad61324", "user": "cmr"}, "ids": [1], "nextid": 2}