{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.369171786, -0.0, 0.0, 0.0, 13.442449649, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550707675407, "energy": -43.7954103, "forces": {"__ndarray__": [[12, 3], "float64", [0.001672, -0.008762, 0.0, -0.001672, 0.008762, 0.0, 0.001672, 0.008762, -0.0, -0.001672, -0.008762, -0.0, 0.001187, -0.000191, 0.0, -0.001187, 0.000191, 0.0, 0.001187, 0.000191, -0.0, -0.001187, -0.000191, -0.0, -0.007102, 0.003919, 0.0, 0.007102, -0.003919, 0.0, -0.007102, -0.003919, -0.0, 0.007102, 0.003919, -0.0]]}, "free_energy": -43.8481648, "key_value_pairs": {"E": 0.29051114166666664, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.082572193433343, "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", [3.44754, 7.96997, 10.0, 1.92163, 5.47248, 10.0, 0.76295, 12.19371, 10.0, 4.60622, 1.24874, 10.0, 3.69792, 12.50383, 10.0, 1.67125, 0.93862, 10.0, 1.01334, 7.65984, 10.0, 4.35584, 5.78261, 10.0, 4.7721, 9.93964, 10.0, 0.59707, 3.50281, 10.0, 2.08751, 10.22403, 10.0, 3.28166, 3.21842, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-2.0234972586113523e-05, -7.879905271427614e-05, 0.0006042654645132618, -0.0, -0.0, 0.0]]}, "unique_id": "8b69548cb27eed4ac6930b621d64f9ec", "user": "yangxb"}, "ids": [1], "nextid": 2}