{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.103263281337608, -2.9619317417780937e-13, 0.0, 9.780558913642326e-13, 3.7162910990830906, 0.0, 0.0, 0.0, 20.858225422304663]]}, "__ase_objtype__": "cell"}, "ctime": 24.99051936467543, "dipole": {"__ndarray__": [[3], "float64", [-2.7883739310610376, -0.2567843987392236, 1.4803971837590336e-05]]}, "energy": -34.64289396600574, "free_energy": -34.64999132552903, "mtime": 24.99051936467543, "numbers": {"__ndarray__": [[8], "int64", [78, 78, 34, 34, 34, 34, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[8, 3], "float64", [1.3328371, 0.92791196, 12.09334439, 1.17548345, 2.77685608, 8.76482481, -0.21825914, 0.91894791, 9.69211752, 2.72664095, 2.78588361, 11.16608829, 2.2312879, 0.91856359, 7.5356384, 0.27701632, 2.78630189, 13.32252607, -1.50290159, 0.91869472, 7.5009002, 4.01119984, 2.78817505, 13.35732305]]}, "unique_id": "4035433326dfa142b0353ddab3bdc26f", "user": "cmr"}, "ids": [1], "nextid": 2}