{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.449090065124673, -2.000867653510519e-18, 0.0, -1.467854717419451e-17, 4.449088769827236, 0.0, 1.3816760841482776e-17, 3.9558231939135364e-36, 18.0254762]]}, "__ase_objtype__": "cell"}, "ctime": 24.990417617326376, "dipole": {"__ndarray__": [[3], "float64", [2.2856174168711396e-08, 2.285700777391735e-08, 4.518409671905058e-06]]}, "energy": -14.74746485367552, "forces": {"__ndarray__": [[4, 3], "float64", [0.0, 0.0, 2.21e-06, -0.0, 0.0, -2.21e-06, 0.0, 0.0, 0.00425782, -0.0, 0.0, -0.00425782]]}, "free_energy": -14.765564566841666, "initial_magmoms": {"__ndarray__": [[4], "float64", [0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[4], "float64", [0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.990417617326376, "numbers": {"__ndarray__": [[4], "int64", [46, 46, 52, 52]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [0.0, -0.0, 9.01273814, 2.22454503, 2.22454439, 9.01273834, -0.0, 2.22454439, 7.57909034, 2.22454503, -0.0, 10.4463863]]}, "stress": {"__ndarray__": [[6], "float64", [-2.110384443594265e-05, -2.1167441956131725e-05, 3.79034058699841e-05, 0.0, 1.6168664647149996e-23, 0.0]]}, "unique_id": "a8cbee4f9929596bb5ccf4fe6871ed28", "user": "cmr"}, "ids": [1], "nextid": 2}