{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.376046737, -0.0, 0.0, -0.0, 7.589710464, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506778725288, "energy": -44.33504629, "forces": {"__ndarray__": [[12, 3], "float64", [-0.007821, 0.000509, -0.0, 0.007821, -0.000509, 0.0, 0.007821, 0.000509, -0.0, -0.007821, -0.000509, 0.0, 0.011751, 0.007826, 0.0, -0.011751, -0.007826, -0.0, -0.011751, 0.007826, 0.0, 0.011751, -0.007826, -0.0, 0.005106, 0.007302, 0.0, -0.005106, -0.007302, -0.0, -0.005106, 0.007302, 0.0, 0.005106, -0.007302, -0.0]]}, "free_energy": -44.3859391, "key_value_pairs": {"E": 0.24554147583333327, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.64737442151001, "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", [7.74509, 1.03077, 10.0, 1.63096, 6.55894, 10.0, 6.31898, 4.82562, 10.0, 3.05707, 2.76409, 10.0, 0.80514, 1.332, 10.0, 8.5709, 6.25771, 10.0, 3.88288, 5.12685, 10.0, 5.49317, 2.46286, 10.0, 1.23863, 4.24118, 10.0, 8.13742, 3.34853, 10.0, 3.4494, 0.44633, 10.0, 5.92665, 7.14338, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.055622391965439e-07, 5.127399746913096e-05, 0.0005642012174342171, -0.0, -0.0, 0.0]]}, "unique_id": "67613f920e94550aeb5f60270fde735f", "user": "yangxb"}, "ids": [1], "nextid": 2}