{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.662630771, 0.0, 0.0, 0.0, 13.520603722, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505568023488, "energy": -87.9424336, "forces": {"__ndarray__": [[24, 3], "float64", [0.005604, 0.002575, 0.0, -0.005604, 0.002575, -0.0, 0.005604, 0.002575, -0.0, -0.005604, 0.002575, 0.0, -0.005022, -0.00584, 0.0, 0.005022, -0.00584, -0.0, -0.005022, -0.00584, 0.0, 0.005022, -0.00584, 0.0, -0.000729, -0.00946, 0.0, 0.000729, -0.00946, -0.0, -0.000729, -0.00946, -0.0, 0.000729, -0.00946, -0.0, 0.005229, 0.002742, -0.0, -0.005229, 0.002742, 0.0, 0.005229, 0.002742, 0.0, -0.005229, 0.002742, -0.0, -0.002207, 0.005099, 0.0, 0.002207, 0.005099, -0.0, -0.002207, 0.005099, 0.0, 0.002207, 0.005099, -0.0, 0.00698, 0.004883, 0.0, -0.00698, 0.004883, 0.0, 0.00698, 0.004883, -0.0, -0.00698, 0.004883, 0.0]]}, "free_energy": -88.04589809, "key_value_pairs": {"E": 0.27586059999999996, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14354402636284, "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", [7.09327, 5.50455, 9.99998, 3.56936, 12.26485, 10.00002, 1.76196, 5.50455, 10.00002, 8.90067, 12.26485, 9.99998, 3.56011, 2.79674, 9.99998, 7.10252, 9.55704, 10.00002, 8.89142, 2.79674, 10.00002, 1.77121, 9.55704, 9.99998, 4.94072, 0.77484, 9.99998, 5.72191, 7.53514, 10.00002, 10.27204, 0.77484, 10.00002, 0.39059, 7.53514, 9.99998, 4.28668, 10.00651, 9.99998, 6.37595, 3.24621, 10.00002, 9.618, 10.00651, 10.00002, 1.04463, 3.24621, 9.99998, 6.37314, 11.81158, 9.99998, 4.28949, 5.05128, 10.00002, 1.04182, 11.81158, 10.00002, 9.62081, 5.05128, 9.99998, 8.43219, 7.52696, 9.99998, 2.23044, 0.76666, 10.00002, 3.10087, 7.52696, 10.00002, 7.56176, 0.76666, 9.99998]]}, "stress": {"__ndarray__": [[6], "float64", [7.951682626375272e-05, 0.00011473766226111193, 0.0005202984422427543, -0.0, -0.0, -0.0]]}, "unique_id": "65550c5e0e24462dab7b7db361616928", "user": "yangxb"}, "ids": [1], "nextid": 2}