{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.657121015, 0.0, 0.0, 0.0, 9.319614803, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550533564054, "energy": -44.35322473, "forces": {"__ndarray__": [[12, 3], "float64", [0.000594, 0.000323, -0.0, -0.000594, 0.000323, 0.0, -0.001407, 0.003953, -0.0, 0.001407, 0.003953, 0.0, -0.000233, 0.00131, -0.0, 0.000233, 0.00131, 0.0, -0.005781, 0.002041, 0.0, 0.005781, 0.002041, -0.0, -0.000368, -0.006387, -0.0, 0.000368, -0.006387, 0.0, -0.007055, -0.001239, -0.0, 0.007055, -0.001239, 0.0]]}, "free_energy": -44.40016815, "key_value_pairs": {"E": 0.24402660583333327, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.982329785623318, "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", [4.76446, 6.08487, 10.0, 2.89266, 1.42507, 10.0, 0.93536, 4.63463, 10.0, 6.72176, 9.29444, 10.0, 1.40913, 8.91345, 10.0, 6.24799, 4.25364, 10.0, 7.1466, 6.86187, 10.0, 0.51052, 2.20207, 10.0, 3.31241, 3.85668, 10.0, 4.34471, 8.51649, 10.0, 2.4218, 6.46663, 10.0, 5.23532, 1.80683, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.916950651337329e-06, 3.348569646036369e-05, 0.0006719109404195845, -0.0, -0.0, -0.0]]}, "unique_id": "ea087775b077affade0458c92e34a805", "user": "yangxb"}, "ids": [1], "nextid": 2}