{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.01048071, 3.627496566, 3.627496566, 3.625076571, -0.009961203, 3.626970325, 3.625076571, 3.626970325, -0.009961203]]},
 "ctime": 20.452077845884954,
 "energy": -134.8553753,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.000842, 0.00164, 0.00164, 0.002107, 0.000122, 0.00154, 0.002107, 0.00154, 0.000122, -0.00361, -0.002834, -0.002834, 0.001267, -6.8e-05, -6.8e-05, 0.001588, 0.005569, 0.001475, 0.001588, 0.001475, 0.005569, 0.002526, -0.002468, -0.002468, 0.002312, 0.002628, 0.002628, 0.00148, -0.001325, 0.002246, 0.00148, 0.002246, -0.001325, 0.000428, -3e-05, -3e-05, -0.003297, 0.000107, -0.002681, -0.003297, -0.002681, 0.000107, -0.003663, -0.000309, -0.000309, -0.003858, -0.005611, -0.005611]]},
 "free_energy": -134.8553753,
 "key_value_pairs": {"gap": 1.4995860000000008, "C_rate": 0.375, "mean_energy": 0.43521873125000043},
 "mtime": 25.64980722805792,
 "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", [0.00311, 0.03662, 0.03662, 5.40488, 1.79407, 3.61723, 5.40488, 3.61723, 1.79407, 3.61694, 1.84349, 1.84349, -0.00161, 1.78255, 1.78255, 1.86062, 3.621, 1.82315, 1.86062, 1.82315, 3.621, 3.60472, 3.57717, 3.57717, 4.51339, 2.73664, 2.73664, 2.72073, 4.50382, 2.72083, 2.72073, 2.72083, 4.50382, 0.90604, 0.90444, 0.90444, 2.68778, 2.73469, 0.92287, 2.68778, 0.92287, 2.73469, 0.92912, 2.70728, 2.70728, 4.52881, 4.5137, 4.5137]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010430185900263513, 5.170466159881691e-05, 5.170466159881691e-05, 1.7494950079850773e-05, 4.247346960163557e-05, 4.247346960163557e-05]]},
 "unique_id": "b3667b482678f713e53f4b95bada4bb4",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}