{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.660924321, 0.0, 0.0, 0.0, 13.51329759, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550573400275, "energy": -87.95776818, "forces": {"__ndarray__": [[24, 3], "float64", [0.006969, -0.00665, -0.0, -0.006969, -0.00665, -0.0, 0.006969, -0.00665, -0.0, -0.006969, -0.00665, -0.0, -0.00085, 0.006131, -0.0, 0.00085, 0.006131, -0.0, -0.00085, 0.006131, -0.0, 0.00085, 0.006131, -0.0, -0.000454, -0.005024, 0.0, 0.000454, -0.005024, 0.0, -0.000454, -0.005024, 0.0, 0.000454, -0.005024, -0.0, -0.005486, -0.001407, -0.0, 0.005486, -0.001407, 0.0, -0.005486, -0.001407, -0.0, 0.005486, -0.001407, -0.0, -0.001131, 0.000732, -0.0, 0.001131, 0.000732, 0.0, -0.001131, 0.000732, 0.0, 0.001131, 0.000732, 0.0, -0.002969, 0.006218, -0.0, 0.002969, 0.006218, 0.0, -0.002969, 0.006218, 0.0, 0.002969, 0.006218, -0.0]]}, "free_energy": -88.0608255, "key_value_pairs": {"E": 0.2752216591666666, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14352740470165, "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[24, 3], "float64", [9.76292, 5.13064, 10.0, 0.898, 11.88729, 10.0, 4.43246, 5.13064, 10.0, 6.22846, 11.88729, 10.0, 6.22628, 2.42563, 10.0, 4.43464, 9.18227, 10.0, 0.89582, 2.42563, 10.0, 9.76511, 9.18227, 10.0, 4.89427, 0.40056, 10.0, 5.76666, 7.1572, 10.0, 10.22473, 0.40056, 10.0, 0.4362, 7.1572, 10.0, 9.04044, 11.43703, 10.0, 1.62049, 4.68038, 10.0, 3.70998, 11.43703, 10.0, 6.95095, 4.68038, 10.0, 1.62678, 9.63206, 10.0, 9.03414, 2.87541, 10.0, 6.95724, 9.63206, 10.0, 3.70368, 2.87541, 10.0, 2.27355, 0.39711, 10.0, 8.38737, 7.15376, 10.0, 7.60401, 0.39711, 10.0, 3.05691, 7.15376, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.7194255261473353e-05, -2.003524429408526e-06, 0.000516416223566455, -0.0, -0.0, -0.0]]}, "unique_id": "e4e645c9cd6f9f684ded67936e5174d8", "user": "yangxb"}, "ids": [1], "nextid": 2}