{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [14.961848668, -0.0, 0.0, -0.0, 8.973242518, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325508014042438, "energy": -81.79287585, "forces": {"__ndarray__": [[22, 3], "float64", [-0.003803, 0.0, 0.0, 0.003803, -0.0, -0.0, -0.003803, 0.0, 0.0, 0.003803, -0.0, 0.0, 0.0, -0.001482, -0.0, -0.0, 0.001482, 0.0, 0.0, -0.001482, 0.0, -0.0, 0.001482, 0.0, -0.005269, -0.000701, 0.0, 0.005269, 0.000701, -0.0, -0.005269, 0.000701, 0.0, 0.005269, -0.000701, 0.0, -0.005269, -0.000701, -0.0, 0.005269, 0.000701, 0.0, -0.005269, 0.000701, 0.0, 0.005269, -0.000701, 0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, 0.002246, -0.0, -0.0, -0.002246, 0.0, -0.0, 0.002246, -0.0, -0.0, -0.002246, 0.0, 0.0]]}, "free_energy": -81.86957153, "key_value_pairs": {"E": 0.28971937045454543, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365}, "mtime": 24.982333791247218, "numbers": {"__ndarray__": [[22], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[22, 3], "float64", [11.19923, -0.0, 9.99998, 3.76261, -0.0, 9.99998, 3.71831, 4.48662, 9.99998, 11.24354, 4.48662, 9.99998, -0.0, 6.52661, 9.99998, -0.0, 2.44663, 9.99998, 7.48092, 2.03999, 9.99998, 7.48092, 6.93325, 9.99998, 2.39421, 1.91284, 9.99998, 12.56764, 7.0604, 9.99998, 2.39421, 7.0604, 9.99998, 12.56764, 1.91284, 9.99998, 9.87513, 6.39946, 9.99998, 5.08672, 2.57378, 9.99998, 9.87513, 2.57378, 9.99998, 5.08672, 6.39946, 9.99998, -0.0, 0.0, 9.99998, 7.48092, 4.48662, 9.99998, 1.37419, 4.48662, 9.99998, 13.58766, 4.48662, 9.99998, 8.85512, -0.0, 9.99998, 6.10673, -0.0, 9.99998]]}, "stress": {"__ndarray__": [[6], "float64", [-4.4002639337476965e-05, 8.138927900151769e-06, 0.0004979039074990852, -0.0, -0.0, -0.0]]}, "unique_id": "e7789dcd56fc14ffaac0016d8039a2ed", "user": "yangxb"}, "ids": [1], "nextid": 2}