{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.987071383180452, 1.2496081497128693e-18, 0.0, -2.493535691590197, 6.551220014868642, 0.0, -3.3261846430314626e-16, -8.244289798886616e-32, 31.731040000000004]]}, "__ase_objtype__": "cell"}, "ctime": 24.926411710435783, "dipole": {"__ndarray__": [[3], "float64", [-1.7318493193019845e-13, 7.818996601172973e-14, 7.742332189874027e-13]]}, "energy": -25.03241524891836, "forces": {"__ndarray__": [[7, 3], "float64", [0.0, 0.0, -0.00271954, -0.0, 0.0, 0.00271954, 0.0, 0.0, 0.0, -0.00774977, 0.00572281, -0.00126974, -0.00774977, -0.00572281, 0.00126974, 0.00774977, -0.00572281, -0.00126974, 0.00774977, 0.00572281, 0.00126974]]}, "free_energy": -25.03249575004017, "initial_magmoms": {"__ndarray__": [[7], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[7], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.926411710435783, "numbers": {"__ndarray__": [[7], "int64", [29, 29, 34, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[7, 3], "float64", [-0.0, -0.0, 16.55479087, 2.49353569, 0.0, 15.17624913, 1.24676785, 3.27561001, 15.86552, 0.13439679, 1.99826416, 17.30179968, 0.13439679, 4.55295585, 14.42924032, 2.35913891, 4.55295585, 17.30179968, 2.35913891, 1.99826416, 14.42924032]]}, "stress": {"__ndarray__": [[6], "float64", [-8.61049432118367e-06, -0.0001426647984257222, 0.0001803338798392836, 0.0, -9.025891992207726e-23, 3.765133151741469e-20]]}, "unique_id": "9d1547f3d389d6f6f07ec40efa82b4bf", "user": "cmr"}, "ids": [1], "nextid": 2}