{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278925827, 0.0, 0.0, -0.0, 9.279287131, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550772394094, "energy": -50.37359317, "forces": {"__ndarray__": [[14, 3], "float64", [0.002732, 0.004351, 0.0, -0.002732, -0.004351, -0.0, -0.002732, 0.004351, 0.0, 0.002732, -0.004351, -0.0, -0.0, 0.0, -0.0, -0.0, -0.0, -0.0, 0.00372, -0.003902, 0.0, -0.00372, 0.003902, -0.0, -0.00372, -0.003902, 0.0, 0.00372, 0.003902, -0.0, -0.004639, 0.002079, -0.0, 0.004639, -0.002079, 0.0, 0.004639, 0.002079, -0.0, -0.004639, -0.002079, 0.0]]}, "free_energy": -50.42387877, "key_value_pairs": {"E": 0.23602405928571432, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143462451801962, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [7.54662, 2.90729, 10.0, 1.73231, 6.37199, 10.0, 6.37177, 7.54694, 10.0, 2.90716, 1.73235, 10.0, 4.63946, 0.0, 10.0, -0.0, 4.63964, 10.0, 5.14893, 2.76284, 10.0, 4.13, 6.51644, 10.0, 8.76946, 7.40249, 10.0, 0.50946, 1.8768, 10.0, 7.40201, 0.50976, 10.0, 1.87691, 8.76953, 10.0, 6.51638, 5.1494, 10.0, 2.76256, 4.12988, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-7.346256241164595e-06, -1.1983697521695855e-06, 0.0005843612919108201, -0.0, -0.0, -0.0]]}, "unique_id": "8b360f1fefb1fbf2d35070fd261be0b1", "user": "yangxb"}, "ids": [1], "nextid": 2}