{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.348137516647389, 7.465403839066519e-21, 0.0, -1.6740687583236993, 2.8996988918755626, 0.0, -2.3353780183975025e-17, 1.1979667781312087e-37, 36.045344]]}, "__ase_objtype__": "cell"}, "ctime": 24.896344194724474, "dipole": {"__ndarray__": [[3], "float64", [-4.426032658461462, 2.5447614961313882, -3.237244104882735e-09]]}, "energy": -23.459657182663342, "forces": {"__ndarray__": [[4, 3], "float64", [0.0, -0.00013811, 0.00186695, 0.0, 0.00013805, -0.00186749, 0.0, -0.00016202, 0.00011605, 0.0, 0.00016203, -0.00011495]]}, "initial_magmoms": {"__ndarray__": [[4], "float64", [0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.896344194724474, "numbers": {"__ndarray__": [[4], "int64", [40, 40, 17, 17]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [0.0, 0.0002386, 19.27906808, -0.0, 1.93328062, 16.76627602, 0.0, 0.00022126, 14.97060849, -0.0, 1.93329795, 21.07473549]]}, "stress": {"__ndarray__": [[6], "float64", [-1.7341030614148543e-07, 3.2108734695526943e-06, 2.4678179268001414e-05, -1.8621438108406385e-06, 0.0, 0.0]]}, "unique_id": "72ae983daf36d6fbc6b2af03d42a89a8", "user": "cmr"}, "ids": [1], "nextid": 2}