{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.665194269, 0.0, 0.0, 0.0, 13.51481126, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505776886523, "energy": -87.92174996, "forces": {"__ndarray__": [[24, 3], "float64", [0.00397, -0.017336, -0.0, -0.00397, -0.017336, 0.0, 0.00397, -0.017336, -0.0, -0.00397, -0.017336, 0.0, -0.003926, 0.00246, 0.0, 0.003926, 0.00246, 0.0, -0.003926, 0.00246, 0.0, 0.003926, 0.00246, 0.0, -0.01214, 0.021487, 0.0, 0.01214, 0.021487, -0.0, -0.01214, 0.021487, 0.0, 0.01214, 0.021487, -0.0, 0.021953, -0.031535, -0.0, -0.021953, -0.031535, 0.0, 0.021953, -0.031535, -0.0, -0.021953, -0.031535, 0.0, 0.001198, 0.024363, 0.0, -0.001198, 0.024363, -0.0, 0.001198, 0.024363, -0.0, -0.001198, 0.024363, 0.0, -0.01202, 0.000562, 0.0, 0.01202, 0.000562, 0.0, -0.01202, 0.000562, -0.0, 0.01202, 0.000562, 0.0]]}, "free_energy": -88.02458739, "key_value_pairs": {"E": 0.2767224183333334, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143669646520536, "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[24, 3], "float64", [8.89188, 0.42145, 10.0, 1.77331, 7.17886, 10.0, 3.55929, 0.42145, 10.0, 7.10591, 7.17886, 10.0, 3.55886, 4.47508, 10.0, 7.10634, 11.23248, 10.0, 8.89146, 4.47508, 10.0, 1.77374, 11.23248, 10.0, 5.72959, 9.20097, 10.0, 4.93561, 2.44356, 10.0, 0.39699, 9.20097, 10.0, -0.39699, 2.44356, 10.0, 4.28467, 6.73213, 10.0, 6.38052, -0.02528, 10.0, 9.61727, 6.73213, 10.0, 1.04793, -0.02528, 10.0, 8.43984, 9.20683, 10.0, 2.22536, 2.44942, 10.0, 3.10724, 9.20683, 10.0, 7.55795, 2.44942, 10.0, 9.63211, 11.68326, 10.0, 1.03308, 4.92585, 10.0, 4.29951, 11.68326, 10.0, 6.36568, 4.92585, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.0548150422742707e-06, 6.176597430974073e-05, 0.0005366449546434425, -0.0, -0.0, -0.0]]}, "unique_id": "a74ee4d98fef21747d4adf4f689d7f17", "user": "yangxb"}, "ids": [1], "nextid": 2}