{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.505639371, -0.0, 0.0, 0.0, 7.462126273, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507545896652, "energy": -50.03027199, "forces": {"__ndarray__": [[14, 3], "float64", [0.003501, 0.007433, 0.0, -0.003501, -0.007433, -0.0, 0.003501, -0.007433, -0.0, -0.003501, 0.007433, 0.0, 0.002907, 0.005464, -0.0, -0.002907, -0.005464, 0.0, 0.002907, -0.005464, 0.0, -0.002907, 0.005464, -0.0, -0.001421, 0.003437, -0.0, 0.001421, -0.003437, -0.0, -0.001421, -0.003437, 0.0, 0.001421, 0.003437, 0.0, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0]]}, "free_energy": -50.09770762, "key_value_pairs": {"E": 0.2605470007142855, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.14372167025286, "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", [8.12684, 7.45733, 10.0, 3.3788, 0.0048, 10.0, 2.37402, 3.73586, 10.0, 9.13162, 3.72627, 10.0, 7.16698, 2.34284, 10.0, 4.33866, 5.11928, 10.0, 1.41416, 1.38822, 10.0, 10.09148, 6.0739, 10.0, 10.09257, 1.38086, 10.0, 1.41307, 6.08127, 10.0, 4.33974, 2.3502, 10.0, 7.16589, 5.11192, 10.0, 0.0, 3.73106, 10.0, 5.75282, -0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [4.471417137782766e-05, -3.3186104022321285e-05, 0.0005481542974715714, -0.0, -0.0, -0.0]]}, "unique_id": "432a143bae294c0dce01e77cde248995", "user": "yangxb"}, "ids": [1], "nextid": 2}