{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.314079903, -0.0, 0.0, 0.0, 7.661419873, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550735590148, "energy": -44.33327474, "forces": {"__ndarray__": [[12, 3], "float64", [-0.002564, -0.002241, 0.0, 0.002564, 0.002241, 0.0, 0.002564, -0.002241, 0.0, -0.002564, 0.002241, 0.0, -0.001861, 0.001422, 0.0, 0.001861, -0.001422, 0.0, 0.001861, 0.001422, -0.0, -0.001861, -0.001422, -0.0, -0.004718, -0.002944, -0.0, 0.004718, 0.002944, 0.0, 0.004718, -0.002944, -0.0, -0.004718, 0.002944, -0.0]]}, "free_energy": -44.37982357, "key_value_pairs": {"E": 0.245689105, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14366282710801, "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", [7.71004, 2.85416, 10.0, 1.60404, 4.80726, 10.0, 6.26108, 6.68487, 10.0, 3.053, 0.97655, 10.0, 0.82764, 2.4269, 10.0, 8.48644, 5.23452, 10.0, 3.8294, 6.25761, 10.0, 5.48468, 1.40381, 10.0, 3.435, 3.32135, 10.0, 5.87908, 4.34007, 10.0, 1.22204, 7.15206, 10.0, 8.09204, 0.50936, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.2133493740717054e-05, 2.1576897048178423e-05, 0.0005889924916822254, -0.0, -0.0, -0.0]]}, "unique_id": "6e2fe2194df364ba8f71296088f9195a", "user": "yangxb"}, "ids": [1], "nextid": 2}