{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.658656418, 0.0, 0.0, 0.0, 13.512398146, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550609608414, "energy": -87.95550083, "forces": {"__ndarray__": [[24, 3], "float64", [-0.003348, -0.000471, 0.0, -0.003348, 0.000471, 0.0, 0.003348, 0.000471, -0.0, 0.003348, -0.000471, -0.0, 0.003348, 0.000471, 0.0, 0.003348, -0.000471, 0.0, -0.003348, -0.000471, 0.0, -0.003348, 0.000471, 0.0, -0.000232, -0.003173, -0.0, -0.000232, 0.003173, 0.0, 0.000232, 0.003173, 0.0, 0.000232, -0.003173, 0.0, 0.000232, 0.003173, -0.0, 0.000232, -0.003173, 0.0, -0.000232, -0.003173, -0.0, -0.000232, 0.003173, 0.0, -4e-06, -0.0, 0.0, 4e-06, -0.0, -0.0, 4e-06, -0.0, -0.0, -4e-06, -0.0, -0.0, -0.006006, -0.0, -0.0, 0.006006, -0.0, 0.0, 0.006006, -0.0, 0.0, -0.006006, -0.0, 0.0]]}, "free_energy": -88.05838196, "key_value_pairs": {"E": 0.2753161320833331, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143539224004467, "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", [1.77218, 5.4047, 10.0, 1.77218, 1.3515, 10.0, 3.55715, 8.1077, 10.0, 3.55715, 12.1609, 10.0, 8.88648, 8.1077, 10.0, 8.88648, 12.1609, 10.0, 7.10151, 5.4047, 10.0, 7.10151, 1.3515, 10.0, 6.36908, 12.61047, 10.0, 6.36908, 7.65813, 10.0, 9.61891, 0.90193, 10.0, 9.61891, 5.85427, 10.0, 4.28958, 0.90193, 10.0, 4.28958, 5.85427, 10.0, 1.03975, 12.61047, 10.0, 1.03975, 7.65813, 10.0, 10.26514, 10.1343, 10.0, 5.72285, 3.3781, 10.0, 0.39352, 3.3781, 10.0, 4.93581, 10.1343, 10.0, 8.43256, 3.3781, 10.0, 7.55542, 10.1343, 10.0, 2.2261, 10.1343, 10.0, 3.10323, 3.3781, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-4.851525043549056e-05, -2.5084625176924812e-05, 0.0005625347344976062, -0.0, -0.0, 0.0]]}, "unique_id": "cbbb0e9a87e26cea64bf884ad4cf1664", "user": "yangxb"}, "ids": [1], "nextid": 2}