{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.502146307, 0.0, 0.0, 0.0, 7.462704462, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505884475128, "energy": -50.03603589, "forces": {"__ndarray__": [[14, 3], "float64", [0.009538, 0.002775, 0.0, -0.009538, 0.002775, 0.0, 0.009538, 0.002775, 0.0, -0.009538, 0.002775, 0.0, 0.005937, -0.001843, -0.0, -0.005937, -0.001843, 0.0, 0.005937, -0.001843, -0.0, -0.005937, -0.001843, -0.0, -0.000821, 0.003425, 0.0, 0.000821, 0.003425, 0.0, -0.000821, 0.003425, 0.0, 0.000821, 0.003425, 0.0, 0.0, -0.008714, 0.0, -0.0, -0.008714, 0.0]]}, "free_energy": -50.1034586, "key_value_pairs": {"E": 0.2601352935714285, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143811431217486, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [3.37618, 1.4317, 10.0, 2.37489, 5.16305, 10.0, 9.12727, 5.16305, 10.0, 8.12595, 1.4317, 10.0, 10.08869, 0.04803, 10.0, 7.16452, 3.77938, 10.0, 4.33762, 3.77938, 10.0, 1.41345, 0.04803, 10.0, 1.41256, 2.81634, 10.0, 4.33851, 6.5477, 10.0, 7.16364, 6.5477, 10.0, 10.08958, 2.81634, 10.0, 5.75107, 1.43357, 10.0, 0.0, 5.16492, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.5435252068309297e-05, -5.302786153350416e-05, 0.0005676902210355859, -0.0, -0.0, -0.0]]}, "unique_id": "8eb0bf50e4b5a7fa4fc6d122af35f097", "user": "yangxb"}, "ids": [1], "nextid": 2}