{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.396293029, -0.0, 0.0, -0.0, 7.567879676, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507237100894, "energy": -44.32399534, "forces": {"__ndarray__": [[12, 3], "float64", [0.008153, 0.039305, 0.0, -0.008153, -0.039305, 0.0, 0.008153, -0.039305, -0.0, -0.008153, 0.039305, -0.0, -0.017437, -0.000861, -0.0, 0.017437, 0.000861, 0.0, -0.017437, 0.000861, 0.0, 0.017437, -0.000861, -0.0, -0.02646, 0.060182, -0.0, 0.02646, -0.060182, 0.0, -0.02646, -0.060182, 0.0, 0.02646, 0.060182, -0.0]]}, "free_energy": -44.37585023, "key_value_pairs": {"E": 0.2464623883333331, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.58577662955506, "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", [1.62564, 6.5359, 10.0, 7.77065, 1.03198, 10.0, 6.32379, 4.81592, 10.0, 3.07251, 2.75196, 10.0, 3.45297, 0.4348, 10.0, 5.94332, 7.13308, 10.0, 8.15112, 3.34914, 10.0, 1.24518, 4.21874, 10.0, 8.58916, 6.23159, 10.0, 0.80714, 1.33629, 10.0, 3.89101, 5.12023, 10.0, 5.50528, 2.44765, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [0.00013755037811621524, -0.0002022935522790023, 0.0005570734140124585, -0.0, -0.0, -0.0]]}, "unique_id": "81c24abd3f9aed3199c01ea0c92a600c", "user": "yangxb"}, "ids": [1], "nextid": 2}