{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.312631042, 0.0, 0.0, -0.0, 7.662921837, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507119131824, "energy": -44.34664028, "forces": {"__ndarray__": [[12, 3], "float64", [-0.001781, 0.004462, 0.0, 0.001781, -0.004462, 0.0, -0.001781, -0.004462, 0.0, 0.001781, 0.004462, 0.0, 1.5e-05, -0.002367, -0.0, -1.5e-05, 0.002367, -0.0, 1.5e-05, 0.002367, 0.0, -1.5e-05, -0.002367, -0.0, 0.001767, -0.00965, 0.0, -0.001767, 0.00965, 0.0, 0.001767, 0.00965, -0.0, -0.001767, -0.00965, -0.0]]}, "free_energy": -44.39305111, "key_value_pairs": {"E": 0.2445753099999998, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14344597633387, "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", [1.60392, 2.85513, 10.0, 7.70871, 4.80779, 10.0, 6.26024, 0.97633, 10.0, 3.05239, 6.68659, 10.0, 3.43427, 4.34167, 10.0, 5.87836, 3.32125, 10.0, 8.09059, 7.15271, 10.0, 1.22204, 0.51022, 10.0, 0.82752, 5.23749, 10.0, 8.48511, 2.42543, 10.0, 5.48383, 6.25689, 10.0, 3.8288, 1.40603, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-2.927267780039248e-05, 7.4635966127312e-05, 0.0006080915096074281, -0.0, -0.0, 0.0]]}, "unique_id": "3012ca4c63ecc4ef5c3c727ad016faf4", "user": "yangxb"}, "ids": [1], "nextid": 2}