{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.280064061, -0.0, 0.0, 0.0, 9.276703703, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550762539549, "energy": -50.36842695, "forces": {"__ndarray__": [[14, 3], "float64", [-0.004113, -0.001645, 0.0, 0.004113, 0.001645, 0.0, 0.004113, -0.001645, -0.0, -0.004113, 0.001645, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.00245, -0.007131, -0.0, 0.00245, 0.007131, 0.0, 0.00245, -0.007131, -0.0, -0.00245, 0.007131, -0.0, 0.004478, 0.002199, 0.0, -0.004478, -0.002199, 0.0, -0.004478, 0.002199, 0.0, 0.004478, -0.002199, -0.0]]}, "free_energy": -50.41870361, "key_value_pairs": {"E": 0.236393075, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.583150883673653, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [1.73175, 1.73178, 10.0, 7.54832, 7.54493, 10.0, 2.90829, 6.37013, 10.0, 6.37178, 2.90657, 10.0, 0.0, -0.0, 10.0, 4.64003, 4.63835, 10.0, 2.76346, 8.7673, 10.0, 6.5166, 0.5094, 10.0, 1.87657, 4.12895, 10.0, 7.40349, 5.14775, 10.0, 4.12886, 1.87696, 10.0, 5.1512, 7.39974, 10.0, 0.51117, 6.51531, 10.0, 8.76889, 2.76139, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-3.226860218081644e-06, -5.3558389809204234e-05, 0.0005125839369631626, -0.0, -0.0, 0.0]]}, "unique_id": "163abb8c0dc1a6135f4ffae3def3b585", "user": "yangxb"}, "ids": [1], "nextid": 2}