{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.5653306897007635, 8.355733428871706e-11, 0.0, -3.282665349849923, 5.6857431603060125, 0.0, -2.2415000105400017e-17, -1.4397137967140653e-28, 17.70630847]]}, "__ase_objtype__": "cell"}, "ctime": 24.797822932990663, "dipole": {"__ndarray__": [[3], "float64", [5.342657434150724e-10, -1.2764782494225942e-08, 0.07797871630744542]]}, "energy": -16.272052352192347, "forces": {"__ndarray__": [[6, 3], "float64", [-0.00363182, -2.6e-07, -0.00164521, 0.00181588, -0.00314555, -0.00164493, 0.00181587, 0.00314506, -0.00164482, 7e-08, -1.6e-07, 0.00198791, -1.4e-07, 8e-08, 0.0019879, -5.5e-07, -5.2e-07, 0.00313457]]}, "free_energy": -16.272052352666503, "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": 24.797822932990663, "numbers": {"__ndarray__": [[6], "int64", [47, 47, 47, 17, 17, 17]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [1.80646865, 0.0, 8.84924993, -0.90323433, 1.56444774, 8.84924993, 2.37943101, 4.12129542, 8.84924993, -4e-08, 3.79049546, 7.99796234, 3.28266538, 1.8952477, 7.99796234, -0.0, 0.0, 10.57475026]]}, "stress": {"__ndarray__": [[6], "float64", [-7.841894128897908e-06, -7.8416062521955e-06, 1.5012079536106614e-05, -4.332362586911353e-10, 1.9430688886591938e-10, -1.8288137088632542e-10]]}, "unique_id": "86362c40cf641da65095731f430d7965", "user": "cmr"}, "ids": [1], "nextid": 2}