{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [16.230588494, 0.0, 0.0, 0.0, 8.875857591, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506206999346, "energy": -87.48829535, "forces": {"__ndarray__": [[24, 3], "float64", [-0.000355, -0.0, -0.0, 0.000355, 0.0, -0.0, -0.000355, -0.0, 0.0, 0.000355, 0.0, -0.0, -0.003143, -0.0, 0.0, 0.003143, 0.0, 0.0, -0.003143, -0.0, 0.0, 0.003143, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, -0.0, -0.0, -0.0, 0.0, -0.0, -0.0, -0.0, 0.0, 0.004038, 0.0, -0.0, -0.004038, -0.0, -0.0, 0.004038, 0.0, -0.0, -0.004038, -0.0, 0.0, 0.008303, 0.002157, -0.0, -0.008303, 0.002157, 0.0, 0.008303, -0.002157, 0.0, -0.008303, -0.002157, 0.0, -0.008303, -0.002157, -0.0, 0.008303, -0.002157, 0.0, -0.008303, 0.002157, -0.0, 0.008303, 0.002157, 0.0]]}, "free_energy": -87.5956772, "key_value_pairs": {"E": 0.2947830270833333, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14350947237924, "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[24, 3], "float64", [9.20369, 2.21896, 9.99998, 7.0269, 6.65689, 10.00002, 1.08839, 2.21896, 10.00002, 15.14219, 6.65689, 9.99998, 12.00749, 6.65689, 9.99998, 4.2231, 2.21896, 10.00002, 3.8922, 6.65689, 10.00002, 12.33839, 2.21896, 9.99998, 0.0, 4.43793, 10.0, 0.0, 0.0, 10.0, 8.11529, 0.0, 10.0, 8.11529, 4.43793, 10.0, 1.54887, 6.65689, 9.99998, 14.68172, 2.21896, 10.00002, 9.66416, 6.65689, 10.00002, 6.56642, 2.21896, 9.99998, 13.49743, 8.51102, 9.99998, 2.73315, 4.07309, 10.00002, 5.38214, 4.80277, 10.00002, 10.84845, 0.36484, 9.99998, 2.73315, 0.36484, 10.00002, 13.49743, 4.80277, 9.99998, 10.84845, 4.07309, 9.99998, 5.38214, 8.51102, 10.00002]]}, "stress": {"__ndarray__": [[6], "float64", [1.7195357641808377e-05, 1.1777727720541709e-05, 0.0005651436853122255, -0.0, -0.0, 0.0]]}, "unique_id": "e26779510a4e9beeaa94c3a4693a179d", "user": "yangxb"}, "ids": [1], "nextid": 2}