{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.366163101, -0.0, 0.0, 0.0, 13.451541852, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506952452596, "energy": -43.79834648, "forces": {"__ndarray__": [[12, 3], "float64", [-0.00661, 0.004544, 0.0, 0.00661, -0.004544, -0.0, -0.00661, -0.004544, -0.0, 0.00661, 0.004544, 0.0, -0.003846, 0.000795, -0.0, 0.003846, -0.000795, -0.0, -0.003846, -0.000795, 0.0, 0.003846, 0.000795, -0.0, -0.008608, 0.002641, 0.0, 0.008608, -0.002641, 0.0, -0.008608, -0.002641, 0.0, 0.008608, 0.002641, -0.0]]}, "free_energy": -43.85086007, "key_value_pairs": {"E": 0.29026646000000006, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143539426508028, "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", [3.44796, 1.24806, 10.0, 1.91821, 12.20349, 10.0, 0.76488, 5.47772, 10.0, 4.60129, 7.97383, 10.0, 4.76756, 3.22105, 10.0, 0.5986, 10.23049, 10.0, 2.08448, 3.50472, 10.0, 3.28169, 9.94682, 10.0, 3.69652, 5.7855, 10.0, 1.66964, 7.66604, 10.0, 1.01344, 0.94027, 10.0, 4.35273, 12.51127, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.4330504953027962e-05, 1.7320187824326042e-05, 0.0006085159322279882, -0.0, -0.0, -0.0]]}, "unique_id": "e1e1109b09368b09ce6d1ae03c6e92b0", "user": "yangxb"}, "ids": [1], "nextid": 2}