{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.379417263, 0.0, 0.0, 0.0, 13.420342486, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506717537237, "energy": -43.78306617, "forces": {"__ndarray__": [[12, 3], "float64", [-0.020688, 0.004333, -0.0, 0.020688, -0.004333, 0.0, 0.020688, 0.004333, -0.0, -0.020688, -0.004333, -0.0, 0.007181, 0.002997, 0.0, -0.007181, -0.002997, 0.0, -0.007181, 0.002997, -0.0, 0.007181, -0.002997, 0.0, -0.006551, -0.001143, -0.0, 0.006551, 0.001143, 0.0, 0.006551, -0.001143, 0.0, -0.006551, 0.001143, -0.0]]}, "free_energy": -43.83566693, "key_value_pairs": {"E": 0.2915398191666669, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.055482868832513, "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", [4.62915, 12.17634, 10.0, 0.75027, 1.24401, 10.0, 3.43998, 5.46617, 10.0, 1.93944, 7.95418, 10.0, 3.297, 10.21232, 10.0, 2.08242, 3.20803, 10.0, 4.77212, 3.50214, 10.0, 0.60729, 9.9182, 10.0, 1.01171, 5.77389, 10.0, 4.36771, 7.64645, 10.0, 1.678, 12.48406, 10.0, 3.70142, 0.93628, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [4.1062888539185955e-05, -4.841538628947643e-05, 0.0005350096792524612, -0.0, -0.0, -0.0]]}, "unique_id": "c7f135f66538c8912bb455b42fccdaa8", "user": "yangxb"}, "ids": [1], "nextid": 2}