{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.321178379, 0.0, 0.0, 0.0, 7.656179461, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506744131438, "energy": -44.34110371, "forces": {"__ndarray__": [[12, 3], "float64", [-0.001877, 0.010087, -0.0, 0.001877, -0.010087, -0.0, -0.001877, -0.010087, 0.0, 0.001877, 0.010087, 0.0, 0.001446, -0.014279, 0.0, -0.001446, 0.014279, -0.0, 0.001446, 0.014279, -0.0, -0.001446, -0.014279, -0.0, 0.013497, -0.015176, -0.0, -0.013497, 0.015176, 0.0, 0.013497, 0.015176, 0.0, -0.013497, -0.015176, -0.0]]}, "free_energy": -44.38812341, "key_value_pairs": {"E": 0.24503669083333346, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14365220323031, "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", [3.05619, 6.6753, 10.0, 6.26499, 0.98088, 10.0, 7.71678, 4.80897, 10.0, 1.6044, 2.84721, 10.0, 0.82561, 5.22994, 10.0, 8.49557, 2.42624, 10.0, 5.4862, 6.25433, 10.0, 3.83498, 1.40185, 10.0, 3.43456, 4.33247, 10.0, 5.88662, 3.32371, 10.0, 8.09515, 7.1518, 10.0, 1.22603, 0.50438, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.639093257202022e-05, 3.7455296264425434e-05, 0.0006262917502185038, -0.0, -0.0, -0.0]]}, "unique_id": "658b11fd6a7128b93de1352d547e3bf2", "user": "yangxb"}, "ids": [1], "nextid": 2}