{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.429510827, 0.0, 0.0, 0.0, 5.368357085, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506836870144, "energy": -43.77432521, "forces": {"__ndarray__": [[12, 3], "float64", [0.047132, -0.029268, -0.0, -0.047132, 0.029268, -0.0, 0.047132, 0.029268, 0.0, -0.047132, -0.029268, 0.0, 0.027939, 0.007131, -0.0, -0.027939, -0.007131, 0.0, 0.027939, -0.007131, -0.0, -0.027939, 0.007131, -0.0, 0.010912, 0.002862, 0.0, -0.010912, -0.002862, 0.0, 0.010912, -0.002862, -0.0, -0.010912, 0.002862, 0.0]]}, "free_energy": -43.8275395, "key_value_pairs": {"E": 0.29226823249999995, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.583190765898333, "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", [12.17765, 1.92884, 10.0, 1.25186, 3.43952, 10.0, 5.46289, 0.75534, 10.0, 7.96662, 4.61302, 10.0, 10.2099, 0.60007, 10.0, 3.21961, 4.76829, 10.0, 3.49515, 2.08411, 10.0, 9.93437, 3.28425, 10.0, 5.7798, 3.69404, 10.0, 7.64971, 1.67431, 10.0, 12.49455, 4.35849, 10.0, 0.93496, 1.00987, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0001467690870951448, -0.0003859249922716136, 0.0005356400716741754, -0.0, -0.0, 0.0]]}, "unique_id": "3801e1b6eb275714df987264871a569d", "user": "yangxb"}, "ids": [1], "nextid": 2}