{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.642186204, 0.0, 0.0, 0.0, 9.328803879, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505336956187, "energy": -44.35340379, "forces": {"__ndarray__": [[12, 3], "float64", [-0.00411, -0.008388, 0.0, 0.00411, -0.008388, 0.0, -0.007203, 0.005778, 0.0, 0.007203, 0.005778, 0.0, -0.001767, 0.006075, 0.0, 0.001767, 0.006075, -0.0, 0.004448, -0.009392, -0.0, -0.004448, -0.009392, 0.0, 0.007174, 0.012234, -0.0, -0.007174, 0.012234, 0.0, -0.008329, -0.006309, 0.0, 0.008329, -0.006309, -0.0]]}, "free_energy": -44.40138468, "key_value_pairs": {"E": 0.24401168416666655, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.982313892377075, "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", [0.91547, 8.92534, 10.0, 6.72672, 4.26094, 10.0, 4.73944, 1.02888, 10.0, 2.90275, 5.69329, 10.0, 1.4191, 3.86872, 10.0, 6.22308, 8.53312, 10.0, 0.53059, 6.49092, 10.0, 7.11159, 1.82652, 10.0, 2.40436, 1.41655, 10.0, 5.23782, 6.08096, 10.0, 4.3519, 3.46307, 10.0, 3.29028, 8.12747, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.398611957076936e-05, -1.7494950079850773e-05, 0.0005162477028200561, -0.0, -0.0, -0.0]]}, "unique_id": "4b538463c271d518ff3d464b27efd949", "user": "yangxb"}, "ids": [1], "nextid": 2}