{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.438306098, 0.0, 0.0, -0.0, 5.370713081, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506492929147, "energy": -43.78440562, "forces": {"__ndarray__": [[12, 3], "float64", [0.002139, 0.001583, -0.0, -0.002139, -0.001583, 0.0, -0.002139, 0.001583, -0.0, 0.002139, -0.001583, -0.0, -0.002411, 0.004382, -0.0, 0.002411, -0.004382, -0.0, 0.002411, 0.004382, 0.0, -0.002411, -0.004382, 0.0, 0.008204, -0.002712, 0.0, -0.008204, 0.002712, 0.0, -0.008204, -0.002712, -0.0, 0.008204, 0.002712, 0.0]]}, "free_energy": -43.83651474, "key_value_pairs": {"E": 0.2914281983333333, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.05174659017522, "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", [1.24238, 4.61405, 10.0, 12.19593, 0.75666, 10.0, 5.47678, 1.92869, 10.0, 7.96153, 3.44202, 10.0, 0.9412, 1.67632, 10.0, 12.4971, 3.69439, 10.0, 5.77795, 4.36168, 10.0, 7.66036, 1.00903, 10.0, 10.22264, 2.07607, 10.0, 3.21567, 3.29464, 10.0, 9.93482, 4.76143, 10.0, 3.50349, 0.60929, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.5025144453786805e-05, 2.708814960633334e-06, 0.0005449274372534897, -0.0, -0.0, 0.0]]}, "unique_id": "2ef3d050784a0b8405af982eef8b6226", "user": "yangxb"}, "ids": [1], "nextid": 2}