{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.500373482, 0.0, 0.0, 0.0, 7.463263868, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505921774273, "energy": -50.03452341, "forces": {"__ndarray__": [[14, 3], "float64", [0.006885, -0.004665, -0.0, -0.006885, -0.004665, 0.0, 0.006885, -0.004665, 0.0, -0.006885, -0.004665, -0.0, 0.002783, 0.001873, 0.0, -0.002783, 0.001873, 0.0, 0.002783, 0.001873, 0.0, -0.002783, 0.001873, 0.0, -0.004876, 0.003417, -0.0, 0.004876, 0.003417, 0.0, -0.004876, 0.003417, 0.0, 0.004876, 0.003417, -0.0, 0.0, -0.001251, 0.0, 0.0, -0.001251, 0.0]]}, "free_energy": -50.10199553, "key_value_pairs": {"E": 0.26024332785714294, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143585225046163, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [3.37637, 1.69782, 10.0, 2.37382, 5.42946, 10.0, 9.12656, 5.42946, 10.0, 8.124, 1.69782, 10.0, 7.16278, 4.04528, 10.0, 10.08778, 0.31364, 10.0, 1.41259, 0.31364, 10.0, 4.33759, 4.04528, 10.0, 7.16412, 6.81382, 10.0, 10.08644, 3.08219, 10.0, 1.41393, 3.08219, 10.0, 4.33625, 6.81382, 10.0, 5.75019, 1.69667, 10.0, -0.0, 5.4283, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.5691153942470512e-05, 5.0113076771716676e-05, 0.0005675154587800611, -0.0, -0.0, -0.0]]}, "unique_id": "200c3ffdf2c2dd8b34ef225fdf334aaf", "user": "yangxb"}, "ids": [1], "nextid": 2}