{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.668835879, 0.0, 0.0, 0.0, 13.506576808, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550582448318, "energy": -87.96006153, "forces": {"__ndarray__": [[24, 3], "float64", [-0.003274, -0.005286, -0.0, 0.003274, -0.005286, 0.0, -0.003274, -0.005286, -0.0, 0.003274, -0.005286, -0.0, -0.008993, 0.003044, -0.0, 0.008993, 0.003044, 0.0, -0.008993, 0.003044, -0.0, 0.008993, 0.003044, 0.0, 0.007028, -0.00181, 0.0, -0.007028, -0.00181, -0.0, 0.007028, -0.00181, 0.0, -0.007028, -0.00181, -0.0, 0.007918, 0.005669, -0.0, -0.007918, 0.005669, 0.0, 0.007918, 0.005669, 0.0, -0.007918, 0.005669, -0.0, -0.002651, -0.003919, -0.0, 0.002651, -0.003919, 0.0, -0.002651, -0.003919, 0.0, 0.002651, -0.003919, -0.0, -0.001626, 0.002302, -0.0, 0.001626, 0.002302, -0.0, -0.001626, 0.002302, 0.0, 0.001626, 0.002302, 0.0]]}, "free_energy": -88.06221509, "key_value_pairs": {"E": 0.2751261029166665, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.591094752753097, "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", [4.44521, 2.11977, 10.0, 6.22363, 8.87306, 10.0, 9.77962, 2.11977, 10.0, 0.88921, 8.87306, 10.0, 4.44776, 11.57188, 10.0, 6.22107, 4.81859, 10.0, 9.78218, 11.57188, 10.0, 0.88666, 4.81859, 10.0, 9.03615, 4.37128, 10.0, 1.63268, 11.12457, 10.0, 3.70174, 4.37128, 10.0, 6.9671, 11.12457, 10.0, 4.88823, 6.8455, 10.0, 5.78061, 0.09221, 10.0, 10.22265, 6.8455, 10.0, 0.44619, 0.09221, 10.0, 9.0428, 9.32113, 10.0, 1.62604, 2.56784, 10.0, 3.70838, 9.32113, 10.0, 6.96046, 2.56784, 10.0, 3.06932, 0.09418, 10.0, 7.59952, 6.84746, 10.0, 8.40373, 0.09418, 10.0, 2.2651, 6.84746, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.3132135200858375e-05, -1.1128610771449847e-05, 0.0005153676500333066, -0.0, -0.0, -0.0]]}, "unique_id": "4e6256b07fb8476ded3552ad2348742d", "user": "yangxb"}, "ids": [1], "nextid": 2}