{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.310434506, 0.0, 0.0, 0.0, 13.535622771, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505953864372, "energy": -43.73335375, "forces": {"__ndarray__": [[12, 3], "float64", [-0.123318, -0.058368, -0.0, 0.123318, 0.058368, -0.0, 0.123318, -0.058368, -0.0, -0.123318, 0.058368, -0.0, -0.003988, 0.056081, 0.0, 0.003988, -0.056081, 0.0, 0.003988, 0.056081, 0.0, -0.003988, -0.056081, 0.0, 0.080347, 0.010553, -0.0, -0.080347, -0.010553, 0.0, -0.080347, 0.010553, 0.0, 0.080347, -0.010553, -0.0]]}, "free_energy": -43.79108066, "key_value_pairs": {"E": 0.2956825208333334, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143587250126465, "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", [3.51038, 5.48438, 10.0, 1.80005, 8.05124, 10.0, 4.45527, 12.25219, 10.0, 0.85517, 1.28343, 10.0, 1.02877, 5.81889, 10.0, 4.28166, 7.71674, 10.0, 1.62644, 12.5867, 10.0, 3.68399, 0.94892, 10.0, 3.14921, 10.24389, 10.0, 2.16123, 3.29173, 10.0, 4.81644, 3.47608, 10.0, 0.49399, 10.05954, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.001076984882689408, -0.0005575852177607809, 0.0004963809792723697, -0.0, -0.0, -0.0]]}, "unique_id": "2c307ed1c1c22a97b1107ec1206ee6ba", "user": "yangxb"}, "ids": [1], "nextid": 2}