{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.657741243, 0.0, 0.0, 0.0, 9.317592481, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550696530938, "energy": -44.3501332, "forces": {"__ndarray__": [[12, 3], "float64", [0.000387, 0.005808, 0.0, -0.000387, -0.005808, -0.0, 0.000387, -0.005808, -0.0, -0.000387, 0.005808, -0.0, 0.00149, -0.009794, -0.0, -0.00149, 0.009794, 0.0, 0.00149, 0.009794, -0.0, -0.00149, -0.009794, 0.0, 0.005001, 0.004546, 0.0, -0.005001, -0.004546, -0.0, 0.005001, -0.004546, 0.0, -0.005001, 0.004546, -0.0]]}, "free_energy": -44.39696318, "key_value_pairs": {"E": 0.24428423333333318, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.1731167162662, "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", [4.80629, 6.26242, 10.0, 2.85145, 3.05517, 10.0, 0.97742, 7.71397, 10.0, 6.68032, 1.60363, 10.0, 0.50716, 3.43622, 10.0, 7.15058, 5.88137, 10.0, 4.33603, 1.22258, 10.0, 3.32171, 8.09501, 10.0, 6.25513, 8.48928, 10.0, 1.40262, 0.82831, 10.0, 2.42625, 5.48711, 10.0, 5.23149, 3.83048, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [9.512059907846085e-06, 2.6151923237450853e-05, 0.0006216605504470984, -0.0, -0.0, -0.0]]}, "unique_id": "35611583e3b63880cc55d9aa40500354", "user": "yangxb"}, "ids": [1], "nextid": 2}