{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.9800924114788727, 1.4547272818207361e-18, 0.0, -1.9900462057394364, 3.4468611377503704, 0.0, 3.38758312770726e-19, 0.0, 20.04145366720963]]}, "__ase_objtype__": "cell"}, "ctime": 24.99053240355725, "dipole": {"__ndarray__": [[3], "float64", [-2.0004105749801435, 1.1549375839545393, -5.264981145227087e-07]]}, "energy": -13.874452803834322, "free_energy": -13.889713355962083, "mtime": 24.99053240355725, "numbers": {"__ndarray__": [[4], "int64", [46, 46, 52, 52]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [1.99004621, 1.14895371, 8.65926292, 1.99004621, 1.14895371, 11.38219179, -0.0, 2.29790743, 7.50065497, -0.0, 2.29790743, 12.54079913]]}, "unique_id": "e31fbba63e2492979a67437593a86423", "user": "cmr"}, "ids": [1], "nextid": 2}