{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [8.886817711, -0.0, 0.0, 0.0, 8.097393185, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506202256307, "energy": -43.72735116, "forces": {"__ndarray__": [[12, 3], "float64", [-0.0, 0.004739, -0.0, -0.0, -0.004739, 0.0, -0.0, 0.004082, -0.0, -0.0, -0.004082, -0.0, 0.002775, 0.004274, 0.0, 0.002775, -0.004274, 0.0, -0.002775, 0.004274, -0.0, -0.002775, -0.004274, -0.0, -0.0, 0.008628, 0.0, -0.0, -0.008628, 0.0, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0]]}, "free_energy": -43.78312322, "key_value_pairs": {"E": 0.2961827366666669, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14357407155934, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [6.66511, 4.20484, 10.0, 2.2217, 3.89255, 10.0, 6.66511, 1.09167, 10.0, 2.2217, 7.00572, 10.0, 4.80302, 2.72593, 10.0, 0.35961, 5.37147, 10.0, 8.5272, 2.72593, 10.0, 4.0838, 5.37147, 10.0, 2.2217, 1.54778, 10.0, 6.66511, 6.54961, 10.0, 4.44341, -0.0, 10.0, 0.0, -0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.590226287241552e-06, -5.5986336859172835e-06, 0.0005850728239511707, -0.0, -0.0, -0.0]]}, "unique_id": "bd7afb3e020c359328dc7b6e16debdbb", "user": "yangxb"}, "ids": [1], "nextid": 2}