{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.30934692, -0.0, 0.0, 0.0, 7.667018553, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506578510844, "energy": -44.3503799, "forces": {"__ndarray__": [[12, 3], "float64", [0.016227, -0.006317, 0.0, -0.016227, 0.006317, 0.0, -0.016227, -0.006317, -0.0, 0.016227, 0.006317, 0.0, -0.011404, -0.004, -0.0, 0.011404, 0.004, -0.0, 0.011404, -0.004, 0.0, -0.011404, 0.004, 0.0, 0.007662, 0.001106, 0.0, -0.007662, -0.001106, 0.0, -0.007662, 0.001106, -0.0, 0.007662, -0.001106, -0.0]]}, "free_energy": -44.39650207, "key_value_pairs": {"E": 0.244263675, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143543068516674, "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", [7.70266, 2.85815, 10.0, 1.60668, 4.80887, 10.0, 6.26136, 6.69166, 10.0, 3.04799, 0.97536, 10.0, 5.48266, 1.40534, 10.0, 3.82668, 6.26168, 10.0, 8.48136, 5.23885, 10.0, 0.82799, 2.42817, 10.0, 8.08914, 0.51346, 10.0, 1.2202, 7.15356, 10.0, 5.87488, 4.34697, 10.0, 3.43447, 3.32005, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.239636673145493e-05, 4.865256363626e-05, 0.0005748492320029739, -0.0, -0.0, -0.0]]}, "unique_id": "aadf5837237cc6a60c0b9ac2671268ab", "user": "yangxb"}, "ids": [1], "nextid": 2}