{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.934847701389844, 8.493125319603537e-20, 0.0, -6.541694255811516e-20, 3.968881371372447, 0.0, -4.468434610197121e-20, -4.818644528932172e-40, 18.5117498]]}, "__ase_objtype__": "cell"}, "ctime": 24.797815460809755, "dipole": {"__ndarray__": [[3], "float64", [-0.5495453935690087, 3.8770308166916676, 7.005365410485516e-07]]}, "energy": -10.089949087431243, "forces": {"__ndarray__": [[4, 3], "float64", [-5.2e-06, 0.00743465, 0.00076194, -5.11e-06, -0.00743473, -0.00077544, -1.846e-05, 0.00736977, -0.00399164, -1.849e-05, -0.00740074, 0.00397618]]}, "free_energy": -10.0899491388661, "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": 24.797815460809755, "numbers": {"__ndarray__": [[4], "int64", [35, 35, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [2.92307366, 1.86506779, 11.00417919, 0.95564981, 3.2203785, 7.50757061, 0.95564344, 3.895156, 10.26902273, 2.92306729, 1.19029029, 8.24272707]]}, "stress": {"__ndarray__": [[6], "float64", [-3.3286698455708735e-05, 0.00013721160217512222, 2.237816078472928e-05, -0.00014178284961632442, 6.411053138761117e-10, 7.491410356621507e-10]]}, "unique_id": "19114576201e4a1efbc70448537d33aa", "user": "cmr"}, "ids": [1], "nextid": 2}