{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [4.211756544, -4.317492254, 0.0, 4.211756544, 4.317492254, 0.0, 0.0, 0.0, 21.983826217]]}, "ctime": 20.02080490609376, "energy": -74.77846381, "forces": {"__ndarray__": [[12, 3], "float64", [0.795418, 0.140049, 0.0, -0.795418, 0.140049, 0.0, 0.593057, -0.360339, 0.0, -0.593057, -0.360339, 0.0, -0.037442, 0.23119, 0.0, 0.037442, 0.23119, 0.0, -0.10463, -0.254917, 0.0, 0.10463, -0.254917, 0.0, 0.506824, -0.031091, 0.0, -0.506824, -0.031091, 0.0, 0.0, 0.012326, 0.0, 0.0, 0.53789, 0.0]]}, "free_energy": -74.78100969, "mtime": 25.074123433493824, "numbers": {"__ndarray__": [[12], "int32", [5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [3.40976, 2.84987, 10.99191, 5.01375, 2.84987, 10.99191, 3.385, 0.02976, 10.99191, 5.03851, 0.02976, 10.99191, 1.63606, -0.00546, 10.99191, 6.78745, -0.00546, 10.99191, 2.45061, -1.40756, 10.99191, 5.97291, -1.40756, 10.99191, 3.36927, -2.8796, 10.99191, 5.05424, -2.8796, 10.99191, 4.21176, 1.41614, 10.99191, 4.21176, -1.51182, 10.99191]]}, "stress": {"__ndarray__": [[6], "float64", [0.0027071609607149747, -0.0012675443978117497, -0.00010132465914958883, -0.0, -0.0, -0.0]]}, "unique_id": "ea09650ac9b1872227b1c1b43c862c8f", "user": "hecc"}, "ids": [1], "nextid": 2}