{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.5971628471390025, -0.0009034633829494374, 0.0, -3.2993638458718815, 5.7147904610298275, 0.0, -1.2870862965414336e-16, 0.0, 33.19]]}, "__ase_objtype__": "cell"}, "ctime": 24.79265706406747, "dipole": {"__ndarray__": [[3], "float64", [2.23150676711876e-13, -2.685224539766847e-13, -1.815178491168177e-13]]}, "energy": -79.79388974467061, "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, 0.005351515005715353, 0.00313255576288026, -0.0015740050151595276, 0.004908075777347107, 0.002939379777259618, 0.0026633592162980156, 0.005351542834399722, 0.003132571140116013, -0.0015739495103547945, 0.004908097660470084, 0.0029393410205064826, 0.002663365707954518, -0.004908097660470084, -0.0029393410205064826, -0.002663365707954518, -0.005351542834399722, -0.003132571140116013, 0.0015739495103547945, -0.004908075777347107, -0.002939379777259618, -0.0026633592162980156, -0.005351515005715353, -0.00313255576288026, 0.0015740050151595276]]}, "free_energy": -79.83044771403993, "initial_magmoms": {"__ndarray__": [[12], "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]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[12], "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]]}, "mtime": 24.79265706406747, "numbers": {"__ndarray__": [[12], "int64", [22, 42, 22, 42, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [-0.0007824223023807477, 5.714338729338355, 16.595, 3.2977990012671183, 5.713886997646879, 16.595, 1.6488995006335592, 2.8569434988234397, 16.595, 4.947480924203061, 2.8564917671319634, 16.595, 1.6550948273664339, 0.9555904198086663, 18.09181326185259, 4.943426467351026, 0.9492208966145358, 18.108802035306233, 0.005412898741257561, 3.8129856501313077, 18.091813257321792, 3.293744541980379, 3.806616131214743, 18.108802034608495, 0.004054459286740796, 1.9072708664321303, 15.081197965391498, 3.2923861025258634, 1.900901347515565, 15.098186742678203, -1.6456274660839083, 4.764666101032343, 15.081197964693759, 1.642704173900686, 4.758296577838209, 15.098186738147396]]}, "stress": {"__ndarray__": [[6], "float64", [2.9055657725243307e-05, 5.804767648364476e-05, 0.00010655339051442049, -2.8843949900397982e-05, -4.8776671490337525e-05, -2.2483281126352247e-05]]}, "unique_id": "ec9ce7509bcc980fd1d45369b5b6bf09", "user": "cmr"}, "ids": [1], "nextid": 2}