{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.499850721, 0.0, 0.0, 0.0, 7.463768802, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505882526805, "energy": -50.03068505, "forces": {"__ndarray__": [[14, 3], "float64", [-0.000712, 4.1e-05, -0.0, 0.000712, 4.1e-05, 0.0, 0.000712, 4.1e-05, 0.0, -0.000712, 4.1e-05, -0.0, -0.003291, -0.001631, 0.0, 0.003291, -0.001631, 0.0, 0.003291, -0.001631, -0.0, -0.003291, -0.001631, -0.0, 0.0, 0.00151, 0.0, -0.0, 0.00151, -0.0, -0.00899, 0.000835, 0.0, 0.00899, 0.000835, -0.0, 0.00899, 0.000835, -0.0, -0.00899, 0.000835, -0.0]]}, "free_energy": -50.09815497, "key_value_pairs": {"E": 0.26051749642857125, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.5890156850964, "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", [3.37547, 5.2166, 10.0, 8.12438, 5.2166, 10.0, 2.37446, 1.48472, 10.0, 9.1254, 1.48472, 10.0, 1.41401, 3.83191, 10.0, 10.08584, 3.83191, 10.0, 4.33591, 0.10003, 10.0, 7.16394, 0.10003, 10.0, 0.0, 1.48541, 10.0, 5.74993, 5.2173, 10.0, 4.338, 2.869, 10.0, 7.16185, 2.869, 10.0, 1.41193, 6.60088, 10.0, 10.08792, 6.60088, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.24892597608924e-05, 3.273047385613181e-05, 0.0006246003012453894, -0.0, -0.0, -0.0]]}, "unique_id": "9ba1dd00157d1b638cbbb3d140d7064f", "user": "yangxb"}, "ids": [1], "nextid": 2}