{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [0.000322067, 3.613120651, 3.61816616, 3.613120651, 0.000322067, 3.61816616, 3.613442718, 3.613442718, 0.0]]},
 "ctime": 20.452076755847276,
 "energy": -135.20487274,
 "forces": {"__ndarray__": [[16, 3], "float64", [-0.0, 0.0, -0.003285, -0.0, 0.0, -0.003285, -0.00121, 0.00121, -0.002259, -0.00121, 0.00121, -0.002259, 0.00121, -0.00121, -0.002259, 0.00121, -0.00121, -0.002259, 0.0, -0.0, 0.007575, 0.0, -0.0, 0.007575, -0.005186, 0.005186, -0.000885, -0.005186, 0.005186, -0.000885, 0.005186, -0.005186, -0.000885, 0.005186, -0.005186, -0.000885, 0.0, -0.0, 0.003894, 0.0, -0.0, 0.003894, -0.0, 0.0, -0.001895, -0.0, 0.0, -0.001895]]},
 "free_energy": -135.205624,
 "key_value_pairs": {"gap": 0.00623800000000152, "C_rate": 0.75, "mean_energy": 0.5513048287499993},
 "mtime": 24.42082615030697,
 "numbers": {"__ndarray__": [[16], "int32", [5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [3.61344, 3.61344, 0.02817, 1.80672, 1.80672, 0.02817, 1.77612, 0.03061, 1.80533, 3.58284, 1.83733, 1.80533, 0.03061, 1.77612, 1.80533, 1.83733, 3.58284, 1.80533, 0.90336, 0.90336, 0.92515, 2.71008, 2.71008, 0.92515, 2.7194, 0.89405, 2.69464, 4.52612, 2.70077, 2.69464, 0.89405, 2.7194, 2.69464, 2.70077, 4.52612, 2.69464, 2.71008, 2.71008, 4.55047, 4.5168, 4.5168, 4.55047, 1.80672, 1.80672, 3.5871, 3.61344, 3.61344, 3.5871]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.00013840546486646124, -0.00013840546486646124, 0.0006708748499046879, -0.0, 0.0, -0.00033065642896191734]]},
 "unique_id": "79dd94f2957e711edb950aba837ec091",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}