{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.37496974, -0.0, 0.0, 0.0, 13.435691943, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507265267166, "energy": -43.77564876, "forces": {"__ndarray__": [[12, 3], "float64", [-0.001661, -0.003006, 0.0, 0.001661, 0.003006, 0.0, 0.001661, -0.003006, 0.0, -0.001661, 0.003006, 0.0, 0.002218, 0.007323, -0.0, -0.002218, -0.007323, -0.0, -0.002218, 0.007323, 0.0, 0.002218, -0.007323, 0.0, -3e-06, 0.000256, -0.0, 3e-06, -0.000256, -0.0, 3e-06, 0.000256, -0.0, -3e-06, -0.000256, 0.0]]}, "free_energy": -43.82771456, "key_value_pairs": {"E": 0.29215793666666645, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143444728834336, "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", [1.93458, 7.95955, 10.0, 3.44039, 5.47615, 10.0, 0.7529, 1.2417, 10.0, 4.62207, 12.19399, 10.0, 1.67773, 12.49502, 10.0, 3.69724, 0.94067, 10.0, 1.00975, 5.77717, 10.0, 4.36522, 7.65852, 10.0, 4.76194, 3.50595, 10.0, 0.61303, 9.92974, 10.0, 3.30052, 10.2238, 10.0, 2.07445, 3.21189, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [4.227374130960731e-05, 1.884935756016744e-06, 0.0005348661245425659, -0.0, -0.0, -0.0]]}, "unique_id": "745ec9e503b7d359ce33c9e0487f1f93", "user": "yangxb"}, "ids": [1], "nextid": 2}