{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.27723208, -0.0, 0.0, 0.0, 9.276696398, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550770101414, "energy": -50.36653011, "forces": {"__ndarray__": [[14, 3], "float64", [0.004208, 0.00624, -0.0, -0.004208, -0.00624, 0.0, -0.004208, 0.00624, -0.0, 0.004208, -0.00624, -0.0, 0.004714, -0.002242, 0.0, -0.004714, 0.002242, 0.0, -0.004714, -0.002242, -0.0, 0.004714, 0.002242, 0.0, -0.002997, -0.000854, -0.0, 0.002997, 0.000854, -0.0, 0.002997, -0.000854, 0.0, -0.002997, 0.000854, 0.0, -0.0, -0.0, 0.0, -0.0, 0.0, 0.0]]}, "free_energy": -50.41689591, "key_value_pairs": {"E": 0.23652856357142862, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.14348061976883, "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", [2.90756, 1.72969, 9.99998, 6.36967, 7.54701, 9.99998, 1.73106, 6.36804, 10.00002, 7.54617, 2.90866, 10.00002, 8.76603, 7.40105, 9.99998, 0.5112, 1.87564, 9.99998, 5.14981, 2.76271, 10.00002, 4.12742, 6.51399, 10.00002, 6.51592, 5.15062, 9.99998, 2.76131, 4.12607, 9.99998, 7.39993, 0.51228, 10.00002, 1.8773, 8.76442, 10.00002, 0.0, 4.63835, 9.99998, 4.63862, -0.0, 10.00002]]}, "stress": {"__ndarray__": [[6], "float64", [-7.268861528003643e-05, -7.70202226133994e-05, 0.0005253353401073421, -0.0, -0.0, -0.0]]}, "unique_id": "ecc83b57b38441d2e20e73509160a0dd", "user": "yangxb"}, "ids": [1], "nextid": 2}