{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.661887212, -0.0, 0.0, -0.0, 9.315214519, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506264062028, "energy": -44.35463435, "forces": {"__ndarray__": [[12, 3], "float64", [0.00533, 0.001598, -0.0, -0.00533, -0.001598, 0.0, -0.00533, 0.001598, 0.0, 0.00533, -0.001598, 0.0, 0.008336, -0.003324, -0.0, -0.008336, 0.003324, 0.0, -0.008336, -0.003324, 0.0, 0.008336, 0.003324, -0.0, -0.005533, -0.000202, 0.0, 0.005533, 0.000202, -0.0, 0.005533, -0.000202, 0.0, -0.005533, 0.000202, -0.0]]}, "free_energy": -44.40105785, "key_value_pairs": {"E": 0.2439091375000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143510857423337, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [0.9724, 1.60263, 10.0, 6.68948, 7.71258, 10.0, 2.85854, 6.26024, 10.0, 4.80335, 3.05498, 10.0, 6.25352, 0.83004, 10.0, 1.40836, 8.48517, 10.0, 5.23931, 5.48765, 10.0, 2.42258, 3.82756, 10.0, 0.51293, 5.8793, 10.0, 7.14895, 3.43591, 10.0, 3.31801, 1.22169, 10.0, 4.34388, 8.09352, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-2.32621045121669e-05, 7.402429823297545e-05, 0.000650071899988119, -0.0, -0.0, -0.0]]}, "unique_id": "35ad4fa12f04b135095bbf50e91bdcf8", "user": "yangxb"}, "ids": [1], "nextid": 2}