{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.652484751, 0.0, 0.0, 0.0, 13.518566031, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505789227414, "energy": -87.93851373, "forces": {"__ndarray__": [[24, 3], "float64", [0.010447, -0.007966, -0.0, -0.010447, -0.007966, -0.0, 0.010447, -0.007966, -0.0, -0.010447, -0.007966, -0.0, 0.002747, 0.004824, -0.0, -0.002747, 0.004824, -0.0, 0.002747, 0.004824, -0.0, -0.002747, 0.004824, -0.0, 0.011242, 0.006214, 0.0, -0.011242, 0.006214, -0.0, 0.011242, 0.006214, -0.0, -0.011242, 0.006214, -0.0, -0.01515, 0.008299, -0.0, 0.01515, 0.008299, 0.0, -0.01515, 0.008299, 0.0, 0.01515, 0.008299, -0.0, 0.002444, -0.017719, -0.0, -0.002444, -0.017719, -0.0, 0.002444, -0.017719, -0.0, -0.002444, -0.017719, 0.0, -0.028595, 0.006347, -0.0, 0.028595, 0.006347, 0.0, -0.028595, 0.006347, -0.0, 0.028595, 0.006347, -0.0]]}, "free_energy": -88.04208348, "key_value_pairs": {"E": 0.2760239279166668, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143526958027515, "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", [4.4284, 13.06877, 10.0, 6.22408, 6.30949, 10.0, 9.75464, 13.06877, 10.0, 0.89784, 6.30949, 10.0, 0.89364, 2.25154, 10.0, 9.75884, 9.01082, 10.0, 6.21988, 2.25154, 10.0, 4.4326, 9.01082, 10.0, 3.69529, 6.75738, 10.0, 6.9572, -0.0019, 10.0, 9.02153, 6.75738, 10.0, 1.63095, -0.0019, 10.0, 8.37914, 11.03548, 10.0, 2.27334, 4.27619, 10.0, 3.0529, 11.03548, 10.0, 7.59959, 4.27619, 10.0, 9.03358, 1.80847, 10.0, 1.61891, 8.56775, 10.0, 3.70734, 1.80847, 10.0, 6.94515, 8.56775, 10.0, 10.22079, 4.28562, 10.0, 0.4317, 11.04492, 10.0, 4.89455, 4.28562, 10.0, 5.75794, 11.04492, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0001319767104668015, 3.9333990511316296e-05, 0.0005191063139997106, -0.0, -0.0, -0.0]]}, "unique_id": "9a30121b12f7fdef0633fc0a4e0e1f2f", "user": "yangxb"}, "ids": [1], "nextid": 2}