{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.380069022852167, 0.10842597573922569, 0.0, -2.281098481600282, 3.7399015531969804, 0.0, -1.576219681717343e-18, 3.842475027798184e-23, 22.2514966]]}, "__ase_objtype__": "cell"}, "ctime": 24.896482985488895, "dipole": {"__ndarray__": [[3], "float64", [1.1663641786679362, 9.36735384749863, -2.252474305318931e-05]]}, "energy": -16.020959404848792, "forces": {"__ndarray__": [[6, 3], "float64", [-0.00245411, 0.00165153, 0.00430043, -0.0024544, 0.00165221, -0.00461863, -0.00107602, 0.00178017, 0.00013041, 0.00099581, -0.00229045, 0.0020917, 0.00099583, -0.00229121, -0.0019293, 0.00398164, -0.00050363, 3.491e-05]]}, "free_energy": -16.02096998573499, "initial_magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.896482985488895, "numbers": {"__ndarray__": [[6], "int64", [53, 53, 53, 29, 29, 29]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [-0.81452666, 3.53169577, 14.75195986, -0.81452666, 3.53169577, 7.49967114, 3.6042325, 1.10147716, 11.1257147, 3.62555976, 1.11175145, 14.21069714, 3.62555976, 1.11175145, 8.04073226, 1.38209351, 2.31223773, 11.1257147]]}, "stress": {"__ndarray__": [[6], "float64", [7.938817350739807e-05, 8.219313066018809e-05, 0.0004689681696803084, -9.266717009273208e-10, -9.349721587961847e-10, 1.5104317017123933e-06]]}, "unique_id": "95152e36d34166dd5bd2a33b29669962", "user": "cmr"}, "ids": [1], "nextid": 2}