{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.022657233, 3.626101143, 3.626101143, 3.609308192, -0.006811916, 3.610248744, 3.609308192, 3.610248744, -0.006811916]]},
 "ctime": 20.452077987984318,
 "energy": -137.63052608,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.002288, -0.002814, -0.002814, 0.000677, 0.00224, -0.000741, 0.000677, -0.000741, 0.00224, -0.001013, -0.001454, -0.001454, 0.000924, -0.001333, -0.001333, -0.000536, 0.001004, -0.001987, -0.000536, -0.001987, 0.001004, -0.003186, 0.000934, 0.000934, 0.000773, -0.000359, 0.000443, 0.000773, 0.000443, -0.000359, -0.000468, 0.006014, 0.006014, 0.002276, -0.002429, -0.002429, -0.000354, -0.000473, 0.00073, -0.000354, 0.00073, -0.000473, -3.8e-05, 0.000114, 0.000114, -0.001903, 0.000111, 0.000111]]},
 "free_energy": -137.63052608,
 "key_value_pairs": {"gap": 2.6739960000000007, "C_rate": 0.375, "mean_energy": 0.2617718074999993},
 "mtime": 25.587690330919443,
 "numbers": {"__ndarray__": [[16], "int32", [5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [0.00313, 0.0244, 0.0244, 5.39862, 1.78797, 3.60918, 5.39862, 3.60918, 1.78797, 3.6024, 1.81836, 1.81836, -0.00912, 1.79217, 1.79217, 1.81627, 3.62508, 1.81285, 1.81627, 1.81285, 3.62508, 3.58883, 3.60466, 3.60466, 2.70303, 4.48388, 2.71191, 2.70303, 2.71191, 4.48388, 4.5068, 4.49701, 4.49701, 0.89932, 0.90422, 0.90422, 2.68014, 2.72495, 0.9248, 2.68014, 0.9248, 2.72495, 4.48827, 2.72467, 2.72467, 0.92265, 2.70502, 2.70502]]},
 "stress": {"__ndarray__": [[6], "float64", [9.10012030553779e-06, 0.00013001063509214826, 0.00013001063509214826, 0.000119974288417728, -3.744905475529955e-08, -3.744905475529955e-08]]},
 "unique_id": "db5f1f7fe16d7f44151f7e92b9a22d7a",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}