{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278751337, 0.0, 0.0, 0.0, 9.278065328, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550524922451, "energy": -50.37498873, "forces": {"__ndarray__": [[14, 3], "float64", [-0.005397, -0.001047, 0.0, 0.005397, 0.001047, -0.0, -0.005397, 0.001047, -0.0, 0.005397, -0.001047, -0.0, -0.008743, -0.004152, 0.0, 0.008743, 0.004152, -0.0, -0.008743, 0.004152, 0.0, 0.008743, -0.004152, -0.0, -0.0, 0.0, -0.0, 0.0, 0.0, -0.0, -0.007308, -0.000374, -0.0, 0.007308, 0.000374, 0.0, -0.007308, 0.000374, -0.0, 0.007308, -0.000374, 0.0]]}, "free_energy": -50.42528916, "key_value_pairs": {"E": 0.23592437642857153, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.982298045097167, "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", [6.37045, 2.90858, 10.0, 2.9083, 6.36948, 10.0, 1.73107, 1.73045, 10.0, 7.54768, 7.54762, 10.0, 7.40423, 5.15049, 10.0, 1.87452, 4.12757, 10.0, 2.76486, 8.76661, 10.0, 6.51389, 0.51146, 10.0, 0.0, -0.0, 10.0, 4.63938, 4.63903, 10.0, 5.15185, 7.40009, 10.0, 4.1269, 1.87797, 10.0, 0.51249, 6.51701, 10.0, 8.76627, 2.76106, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-4.088188477453534e-06, -3.208135690703995e-06, 0.0005270267890804565, -0.0, -0.0, -0.0]]}, "unique_id": "60bd53eae1242d8dcbdfe4f32761dca1", "user": "yangxb"}, "ids": [1], "nextid": 2}