{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.753090163, 0.0, 0.0, 0.0, 13.420388026, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505807256317, "energy": -87.56199346, "forces": {"__ndarray__": [[24, 3], "float64", [-0.014331, -0.018485, 0.0, 0.014331, -0.018485, -0.0, -0.014331, -0.018485, -0.0, 0.014331, -0.018485, 0.0, -0.008842, -0.008492, -0.0, 0.008842, -0.008492, 0.0, -0.008842, -0.008492, -0.0, 0.008842, -0.008492, 0.0, -0.005382, 0.018284, -0.0, 0.005382, 0.018284, 0.0, -0.005382, 0.018284, -0.0, 0.005382, 0.018284, 0.0, 0.000835, 0.002183, 0.0, -0.000835, 0.002183, -0.0, 0.000835, 0.002183, -0.0, -0.000835, 0.002183, 0.0, 0.002867, 0.016394, 0.0, -0.002867, 0.016394, -0.0, 0.002867, 0.016394, -0.0, -0.002867, 0.016394, 0.0, -0.008974, -0.009884, 0.0, 0.008974, -0.009884, 0.0, -0.008974, -0.009884, 0.0, 0.008974, -0.009884, -0.0]]}, "free_energy": -87.6673841, "key_value_pairs": {"E": 0.29171227250000015, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.58670400440434, "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", [10.16007, 6.96429, 10.0, 0.59302, 0.25409, 10.0, 4.78352, 6.96429, 10.0, 5.96957, 0.25409, 10.0, 7.46919, 2.72275, 10.0, 3.2839, 9.43294, 10.0, 2.09264, 2.72275, 10.0, 8.66045, 9.43294, 10.0, 2.3549, 7.25271, 10.0, 8.39819, 0.54252, 10.0, 7.73145, 7.25271, 10.0, 3.02164, 0.54252, 10.0, 7.33826, 11.39956, 10.0, 3.41483, 4.68936, 10.0, 1.96172, 11.39956, 10.0, 8.79137, 4.68936, 10.0, 5.71456, 9.13851, 10.0, 5.03853, 2.42832, 10.0, 0.33801, 9.13851, 10.0, 10.41508, 2.42832, 10.0, 6.10236, 4.99418, 10.0, 4.65073, 11.70437, 10.0, 0.72581, 4.99418, 10.0, 10.02728, 11.70437, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0001007317157826299, -0.00012454931460700042, 0.0005702929303410793, -0.0, -0.0, -0.0]]}, "unique_id": "9925fc27440ca992765d76680fdc5fcd", "user": "yangxb"}, "ids": [1], "nextid": 2}