{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [8.88967918, 0.0, 0.0, 0.0, 8.088352971, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506190599487, "energy": -43.75581886, "forces": {"__ndarray__": [[12, 3], "float64", [-0.0, 0.001734, -0.0, -0.0, -0.001734, -0.0, -0.0, 0.005877, -0.0, -0.0, -0.005877, -0.0, -0.001862, 0.002796, -0.0, -0.001862, -0.002796, 0.0, 0.001862, 0.002796, 0.0, 0.001862, -0.002796, -0.0, -0.0, -0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.009487, -0.0, -0.0, -0.009487, 0.0]]}, "free_energy": -43.80318538, "key_value_pairs": {"E": 0.29381042833333354, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14353949412242, "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", [2.22242, 0.1572, 10.0, 6.66726, 7.93115, 10.0, 2.22242, 5.13328, 10.0, 6.66726, 2.95507, 10.0, 4.80458, 1.32189, 10.0, 0.35974, 6.76647, 10.0, 8.52994, 1.32189, 10.0, 4.0851, 6.76647, 10.0, 4.44484, 4.04418, 10.0, 0.0, 4.04418, 10.0, 6.66726, 5.58699, 10.0, 2.22242, 2.50136, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [9.206225960677804e-06, 1.3294414438131339e-05, 0.0005585838592209223, -0.0, -0.0, -0.0]]}, "unique_id": "feb2df95d584d3f41e9e36ba5b3a0e81", "user": "yangxb"}, "ids": [1], "nextid": 2}