{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.661669063, 0.0, 0.0, -0.0, 9.313979743, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550719130787, "energy": -44.35816863, "forces": {"__ndarray__": [[12, 3], "float64", [-0.001891, -0.005871, 0.0, 0.001891, 0.005871, 0.0, -0.001891, 0.005871, 0.0, 0.001891, -0.005871, 0.0, -0.008106, 0.001906, -0.0, 0.008106, -0.001906, 0.0, -0.008106, -0.001906, 0.0, 0.008106, 0.001906, -0.0, 0.000526, -0.007562, -0.0, -0.000526, 0.007562, 0.0, 0.000526, 0.007562, -0.0, -0.000526, -0.007562, 0.0]]}, "free_energy": -44.40468669, "key_value_pairs": {"E": 0.24361461416666655, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14526413353487, "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", [6.68482, 1.60643, 10.0, 0.97685, 7.70755, 10.0, 2.85398, 3.05056, 10.0, 4.80769, 6.26342, 10.0, 5.2339, 3.83008, 10.0, 2.42777, 5.4839, 10.0, 1.40306, 0.82691, 10.0, 6.2586, 8.48707, 10.0, 3.32055, 8.09275, 10.0, 4.34112, 1.22123, 10.0, 7.15139, 5.87822, 10.0, 0.51028, 3.43576, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.5959538834883492e-05, 4.061349988212236e-05, 0.0006350361045038662, -0.0, -0.0, -0.0]]}, "unique_id": "6e3424ad8a3c0e850f60deb409aa65e8", "user": "yangxb"}, "ids": [1], "nextid": 2}