{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [11.499982869, 0.0, 0.0, 0.0, 7.465303758, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.3255079758818, "energy": -50.02529843, "forces": {"__ndarray__": [[14, 3], "float64", [-0.004604, -0.001544, 0.0, 0.004604, -0.001544, 0.0, -0.004604, -0.001544, 0.0, 0.004604, -0.001544, -0.0, 0.004674, 0.000953, 0.0, -0.004674, 0.000953, 0.0, 0.004674, 0.000953, -0.0, -0.004674, 0.000953, -0.0, -0.003624, 0.001581, 0.0, 0.003624, 0.001581, 0.0, -0.003624, 0.001581, -0.0, 0.003624, 0.001581, -0.0, -0.0, -0.00198, 0.0, -0.0, -0.00198, -0.0]]}, "free_energy": -50.09278851, "key_value_pairs": {"E": 0.260902255, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.98358312865216, "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", [3.37592, 0.19412, 10.0, 8.12407, 0.19412, 10.0, 9.12591, 3.92677, 10.0, 2.37407, 3.92677, 10.0, 7.16162, 5.30996, 10.0, 4.33836, 5.30996, 10.0, 1.41163, 1.57731, 10.0, 10.08835, 1.57731, 10.0, 4.3369, 2.54026, 10.0, 7.16309, 2.54026, 10.0, 10.08689, 6.27291, 10.0, 1.41309, 6.27291, 10.0, 5.74999, 0.19265, 10.0, -0.0, 3.9253, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.0042588183546163e-05, 6.559826091303305e-06, 0.0005474053163764653, -0.0, -0.0, -0.0]]}, "unique_id": "272ca41e9c9209ceb506942efe8aaea7", "user": "yangxb"}, "ids": [1], "nextid": 2}