{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.655150911, 0.0, 0.0, 0.0, 9.318012449, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550542497991, "energy": -44.35168567, "forces": {"__ndarray__": [[12, 3], "float64", [0.003065, -0.006154, -0.0, -0.003065, -0.006154, 0.0, -0.000347, -0.001362, 0.0, 0.000347, -0.001362, -0.0, 0.013874, -0.008449, -0.0, -0.013874, -0.008449, 0.0, -0.010785, 0.009611, -0.0, 0.010785, 0.009611, -0.0, 0.003939, -0.001333, -0.0, -0.003939, -0.001333, -0.0, -0.004851, 0.007688, -0.0, 0.004851, 0.007688, 0.0]]}, "free_energy": -44.39862647, "key_value_pairs": {"E": 0.24415486083333318, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.98229631972518, "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", [0.93406, 8.86671, 10.0, 6.72109, 4.20771, 10.0, 2.89426, 2.76103, 10.0, 4.76089, 7.42004, 10.0, 1.40741, 4.59031, 10.0, 6.24774, 9.24932, 10.0, 7.14096, 6.63899, 10.0, 0.51419, 1.97999, 10.0, 5.23582, 2.37753, 10.0, 2.41933, 7.03654, 10.0, 3.31285, 0.32786, 10.0, 4.3423, 4.98687, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.6752210493870667e-05, 1.162793150152051e-05, 0.0005873010427091111, -0.0, -0.0, -0.0]]}, "unique_id": "b6dd65c83679c5fc50455da64f50dbed", "user": "yangxb"}, "ids": [1], "nextid": 2}