{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278983045, 0.0, 0.0, 0.0, 9.278983045, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505222714117, "energy": -50.37260204, "forces": {"__ndarray__": [[14, 3], "float64", [5.9e-05, -5.9e-05, 0.0, -5.9e-05, 5.9e-05, 0.0, -5.9e-05, -5.9e-05, 0.0, 5.9e-05, 5.9e-05, -0.0, 0.00464, -0.002271, -0.0, -0.00464, 0.002271, -0.0, -0.002271, -0.00464, -0.0, 0.002271, 0.00464, -0.0, -0.00464, -0.002271, 0.0, 0.00464, 0.002271, -0.0, 0.002271, -0.00464, 0.0, -0.002271, 0.00464, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0]]}, "free_energy": -50.42293777, "key_value_pairs": {"E": 0.2360948542857145, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.98229650704281, "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", [7.54773, 6.37074, 10.0, 1.73125, 2.90824, 10.0, 6.37074, 1.73125, 10.0, 2.90824, 7.54773, 10.0, 2.76222, 5.15066, 10.0, 6.51677, 4.12832, 10.0, 5.15066, 6.51677, 10.0, 4.12832, 2.76222, 10.0, 1.87728, 0.51117, 10.0, 7.40171, 8.76781, 10.0, 8.76781, 1.87728, 10.0, 0.51117, 7.40171, 10.0, -0.0, 4.63949, 10.0, 4.63949, 0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.978007202737483e-06, 6.978007202737483e-06, 0.0005206791742994331, 0.0, 0.0, -0.0]]}, "unique_id": "5c5167eef570f2ec293783f308999bf3", "user": "yangxb"}, "ids": [1], "nextid": 2}