{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.500945411, 0.0, 0.0, 0.0, 7.461509839, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505864958295, "energy": -50.04354613, "forces": {"__ndarray__": [[14, 3], "float64", [-0.001673, -0.001996, 0.0, 0.001673, -0.001996, -0.0, -0.001673, -0.001996, 0.0, 0.001673, -0.001996, -0.0, -0.000418, 3.3e-05, 0.0, 0.000418, 3.3e-05, 0.0, -0.000418, 3.3e-05, 0.0, 0.000418, 3.3e-05, 0.0, 8.5e-05, 0.002221, -0.0, -8.5e-05, 0.002221, 0.0, 8.5e-05, 0.002221, 0.0, -8.5e-05, 0.002221, -0.0, 0.0, -0.000515, -0.0, 0.0, -0.000515, -0.0]]}, "free_energy": -50.11097382, "key_value_pairs": {"E": 0.25959884785714266, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.143628546966532, "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", [2.37409, 6.8361, 10.0, 3.37638, 3.10534, 10.0, 8.12457, 3.10534, 10.0, 9.12685, 6.8361, 10.0, 1.41355, 1.72115, 10.0, 4.33692, 5.45191, 10.0, 7.16402, 5.45191, 10.0, 10.0874, 1.72115, 10.0, 1.41255, 4.48915, 10.0, 4.33793, 0.7584, 10.0, 7.16302, 0.7584, 10.0, 10.0884, 4.48915, 10.0, 0.0, 6.83615, 10.0, 5.75047, 3.1054, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.8743251905027426e-05, -1.8768217941530956e-05, 0.00062393245976892, -0.0, -0.0, -0.0]]}, "unique_id": "a5eb4efc3cd9ed19306208a7233b55f4", "user": "yangxb"}, "ids": [1], "nextid": 2}