{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.408909238, 0.0, 0.0, -0.0, 7.55689466, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507062453347, "energy": -44.3238873, "forces": {"__ndarray__": [[12, 3], "float64", [-0.000256, -0.009156, 0.0, 0.000256, 0.009156, 0.0, 0.000256, -0.009156, -0.0, -0.000256, 0.009156, -0.0, 0.001616, 0.0055, -0.0, -0.001616, -0.0055, 0.0, -0.001616, 0.0055, -0.0, 0.001616, -0.0055, 0.0, -0.002706, -0.005836, -0.0, 0.002706, 0.005836, -0.0, 0.002706, -0.005836, 0.0, -0.002706, 0.005836, 0.0]]}, "free_energy": -44.37625247, "key_value_pairs": {"E": 0.24647139166666646, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14374421978688, "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", [6.33903, 4.8257, 10.0, 3.06987, 2.7312, 10.0, 7.77433, 1.04724, 10.0, 1.63458, 6.50964, 10.0, 3.45707, 0.41902, 10.0, 5.95184, 7.13788, 10.0, 1.24738, 4.19746, 10.0, 8.16153, 3.35943, 10.0, 5.50678, 2.46847, 10.0, 3.90213, 5.08843, 10.0, 8.60658, 6.24692, 10.0, 0.80233, 1.30998, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.974703249395961e-05, 7.677056224836408e-06, 0.0005798549223219324, -0.0, -0.0, -0.0]]}, "unique_id": "3a17f650edb40f2811a34369d84f55bd", "user": "yangxb"}, "ids": [1], "nextid": 2}