{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [0.016501363, 3.630528736, 3.63245789, 3.646138386, 0.000891714, 3.648077291, 3.6470301, 3.6470301, 0.0]]},
 "ctime": 20.452077312143444,
 "energy": -131.92016065,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.007112, 0.000387, 0.000494, -0.000387, -0.007112, 0.000494, -0.002792, 0.002792, 0.005172, 0.000192, -0.000192, -0.005735, 0.000888, -0.000888, 0.004288, 0.002456, -0.002456, -0.003349, 0.002442, -0.001572, -0.001615, 0.001572, -0.002442, -0.001615, -0.001596, 0.001596, 0.002595, -0.000663, 0.004598, -0.003065, -0.004598, 0.000663, -0.003065, -0.00542, 0.00542, 0.003963, 0.000693, -0.000693, 0.005033, 0.00067, -0.001122, 0.001109, 0.001122, -0.00067, 0.001109, -0.001691, 0.001691, -0.005814]]},
 "free_energy": -131.92018551,
 "key_value_pairs": {"gap": 0.6182379999999998, "C_rate": 0.5, "mean_energy": 0.6646462093749994},
 "mtime": 25.64511679617248,
 "numbers": {"__ndarray__": [[16], "int32", [5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [7.25206, 3.68158, 3.67106, 5.436, 1.86551, 3.67106, 5.45652, 3.66106, 1.85228, 3.6253, 1.84525, 1.85924, 3.67382, 1.79673, 5.41384, 1.87444, 3.5961, 1.75516, 1.89981, 1.77878, 3.61264, 3.69176, 3.57074, 3.61264, 2.72208, 2.74846, 0.93247, 2.71474, 0.92711, 2.74666, 4.54343, 2.7558, 2.74666, 2.74726, 2.72329, 4.5351, 0.89081, 0.9327, 0.94132, 0.92581, 2.716, 2.72281, 2.75455, 4.54474, 2.72281, 4.57244, 4.54513, 4.55114]]},
 "stress": {"__ndarray__": [[6], "float64", [-7.853066782186315e-05, -7.853066782186315e-05, -3.666886611456414e-05, -4.3066412968594477e-07, 4.3066412968594477e-07, 4.200535641719432e-06]]},
 "unique_id": "db9be757a67f711adf4b8b107bfdcf65",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}