{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.000609889, 3.592478886, 3.590401874, 3.592478886, -0.000609889, 3.590401874, 3.591868997, 3.591868997, 0.0]]},
 "ctime": 20.452076648310438,
 "energy": -140.73334118,
 "forces": {"__ndarray__": [[16, 3], "float64", [-0.0, 0.0, -0.006122, -0.002184, 0.001923, 0.002714, -0.001923, 0.002184, 0.002714, 0.001923, -0.002184, 0.002714, 0.002184, -0.001923, 0.002714, 0.0, -0.0, 0.002851, 0.0, -0.0, 0.000726, -0.002521, -0.002521, 0.000957, 0.002521, 0.002521, 0.000957, 0.00118, -0.00118, -0.008665, -0.002832, 0.002832, 0.007768, -0.00118, 0.00118, -0.008665, 0.002832, -0.002832, 0.007768, 0.003072, 0.003072, 0.00051, -0.003072, -0.003072, 0.00051, -0.0, 0.0, -0.009451]]},
 "free_energy": -140.73334118,
 "key_value_pairs": {"gap": 1.7183539999999997, "C_rate": 0.875, "mean_energy": 0.2517521137500003},
 "mtime": 25.569513355083686,
 "numbers": {"__ndarray__": [[16], "int32", [5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [3.59187, 3.59187, 7.16586, 1.8098, 0.01606, 1.79617, 3.57581, 1.78207, 1.79617, 0.01606, 1.8098, 1.79617, 1.78207, 3.57581, 1.79617, 1.79593, 1.79593, 3.57445, 3.59187, 3.59187, 3.60366, 0.89451, 0.89451, 0.91614, 2.69736, 2.69736, 0.91614, 2.68202, 0.90985, 2.68604, 4.47949, 2.70425, 2.67945, 0.90985, 2.68202, 2.68604, 2.70425, 4.47949, 2.67945, 2.69058, 2.69058, 4.48699, 4.49316, 4.49316, 4.48699, 1.79593, 1.79593, 0.01897]]},
 "stress": {"__ndarray__": [[6], "float64", [9.42467878008372e-05, 9.42467878008372e-05, 0.00015980759965911494, -0.0, 0.0, 4.60436128216408e-05]]},
 "unique_id": "9583b59cb5bf262c16588b868011c603",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}