{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.761196885, 0.0, 0.0, 0.0, 13.429208593, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550582128458, "energy": -87.55407371, "forces": {"__ndarray__": [[24, 3], "float64", [0.00356, 0.00075, -0.0, -0.00356, 0.00075, -0.0, 0.00356, 0.00075, 0.0, -0.00356, 0.00075, -0.0, -0.01748, -0.018001, 0.0, 0.01748, -0.018001, -0.0, -0.01748, -0.018001, 0.0, 0.01748, -0.018001, -0.0, 0.005018, 0.022083, 0.0, -0.005018, 0.022083, -0.0, 0.005018, 0.022083, 0.0, -0.005018, 0.022083, -0.0, 0.00611, 0.001178, 0.0, -0.00611, 0.001178, -0.0, 0.00611, 0.001178, 0.0, -0.00611, 0.001178, -0.0, 0.020272, 0.001886, 0.0, -0.020272, 0.001886, -0.0, 0.020272, 0.001886, -0.0, -0.020272, 0.001886, 0.0, -0.019604, -0.007895, -0.0, 0.019604, -0.007895, 0.0, -0.019604, -0.007895, -0.0, 0.019604, -0.007895, 0.0]]}, "free_energy": -87.66153552, "key_value_pairs": {"E": 0.29204226208333345, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.052023268331002, "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", [2.10271, 4.14804, 10.0, 8.65849, 10.86264, 10.0, 7.4833, 4.14804, 10.0, 3.27789, 10.86264, 10.0, 5.97605, 1.6633, 10.0, 4.78515, 8.3779, 10.0, 0.59545, 1.6633, 10.0, 10.16575, 8.3779, 10.0, 10.02352, 13.12405, 10.0, 0.73768, 6.40945, 10.0, 4.64292, 13.12405, 10.0, 6.11828, 6.40945, 10.0, 2.35303, 8.68183, 10.0, 8.40817, 1.96723, 10.0, 7.73363, 8.68183, 10.0, 3.02757, 1.96723, 10.0, 5.70809, 10.55932, 10.0, 5.05311, 3.84471, 10.0, 0.32749, 10.55932, 10.0, 10.4337, 3.84471, 10.0, 3.42907, 6.11738, 10.0, 7.33212, 12.83199, 10.0, 8.80967, 6.11738, 10.0, 1.95153, 12.83199, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.510518169208828e-05, 0.00018418069279568908, 0.0005382552639979205, -0.0, -0.0, -0.0]]}, "unique_id": "29643b1e50fa86718fd5f33854b48658", "user": "yangxb"}, "ids": [1], "nextid": 2}