{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.369005836, -0.0, 0.0, 0.0, 13.444427595, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506437036847, "energy": -43.79526417, "forces": {"__ndarray__": [[12, 3], "float64", [-0.000742, -0.009421, -0.0, 0.000742, 0.009421, -0.0, 0.000742, -0.009421, -0.0, -0.000742, 0.009421, 0.0, 0.00135, 0.008544, 0.0, -0.00135, -0.008544, 0.0, -0.00135, 0.008544, -0.0, 0.00135, -0.008544, -0.0, 0.009681, -0.001628, -0.0, -0.009681, 0.001628, -0.0, -0.009681, -0.001628, 0.0, 0.009681, 0.001628, 0.0]]}, "free_energy": -43.84727164, "key_value_pairs": {"E": 0.29052331916666646, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.04963866446104, "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", [3.44273, 12.20217, 10.0, 1.92628, 1.24225, 10.0, 4.61078, 5.47996, 10.0, 0.75822, 7.96447, 10.0, 3.29292, 3.50597, 10.0, 2.07609, 9.93846, 10.0, 4.76059, 10.22818, 10.0, 0.60841, 3.21625, 10.0, 4.35905, 0.94217, 10.0, 1.00995, 12.50226, 10.0, 3.69445, 7.66439, 10.0, 1.67455, 5.78004, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.0341078241253537e-05, 5.144251821552981e-05, 0.00057549210744294, -0.0, -0.0, -0.0]]}, "unique_id": "de98fe9b86d0e92e0bf480eddb175c4c", "user": "yangxb"}, "ids": [1], "nextid": 2}