{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278912583, -0.0, 0.0, -0.0, 9.280030655, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550780412074, "energy": -50.36734774, "forces": {"__ndarray__": [[14, 3], "float64", [-0.003141, 0.003892, 0.0, 0.003141, -0.003892, -0.0, 0.003141, 0.003892, 0.0, -0.003141, -0.003892, -0.0, 0.0, -0.0, -0.0, -0.0, 0.0, -0.0, -0.00442, 0.006492, 0.0, 0.00442, -0.006492, -0.0, 0.00442, 0.006492, -0.0, -0.00442, -0.006492, 0.0, 0.00298, 0.003024, 0.0, -0.00298, -0.003024, -0.0, -0.00298, 0.003024, 0.0, 0.00298, -0.003024, -0.0]]}, "free_energy": -50.41765291, "key_value_pairs": {"E": 0.23647016142857144, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.093829152028654, "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", [2.9088, 6.37183, 10.0, 6.37012, 2.9082, 10.0, 1.73066, 1.73182, 10.0, 7.54825, 7.54821, 10.0, 4.63946, 4.64002, 10.0, 0.0, -0.0, 10.0, 6.51678, 0.5104, 10.0, 2.76213, 8.76963, 10.0, 7.40158, 5.15042, 10.0, 1.87733, 4.12961, 10.0, 4.12806, 1.87694, 10.0, 5.15085, 7.40309, 10.0, 0.51139, 6.51696, 10.0, 8.76752, 2.76308, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.9559787220183113e-05, 2.4816240284511832e-05, 0.000520154887532859, -0.0, -0.0, 0.0]]}, "unique_id": "6f0176218c8f3ac155023e8130edcee7", "user": "yangxb"}, "ids": [1], "nextid": 2}