{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278316678, -3e-09, 0.0, 3e-09, 9.278316678, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505205583656, "energy": -50.37023095, "forces": {"__ndarray__": [[14, 3], "float64", [0.009326, 0.000668, 0.0, -0.009326, -0.000668, -0.0, -0.000668, 0.009326, 0.0, 0.000668, -0.009326, 0.0, 0.0, 0.0, -0.0, 0.0, -0.0, -0.0, 0.000416, 0.001202, -0.0, -0.000416, -0.001202, 0.0, -0.001202, 0.000416, 0.0, 0.001202, -0.000416, -0.0, 0.000867, 0.002458, -0.0, -0.000867, -0.002458, 0.0, -0.002458, 0.000867, -0.0, 0.002458, -0.000867, 0.0]]}, "free_energy": -50.42046704, "key_value_pairs": {"E": 0.23626421785714286, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.98236045876968, "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", [1.73021, 2.90833, 10.0, 7.5481, 6.36998, 10.0, 6.36998, 1.73021, 10.0, 2.90833, 7.5481, 10.0, 4.63916, -0.0, 10.0, 0.0, 4.63916, 10.0, 8.76655, 1.87638, 10.0, 0.51177, 7.40193, 10.0, 7.40193, 8.76655, 10.0, 1.87638, 0.51177, 10.0, 5.15058, 6.51557, 10.0, 4.12773, 2.76275, 10.0, 2.76275, 5.15058, 10.0, 6.51557, 4.12773, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [3.0907953191373895e-05, 3.0907953191373895e-05, 0.0004627142790473553, -0.0, -0.0, -0.0]]}, "unique_id": "bae918da1c9913bca40fc37eb3ddcc19", "user": "yangxb"}, "ids": [1], "nextid": 2}