{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.1012131, 3.704669737, 3.704669737, 3.603456637, -0.0, 3.603456637, 3.603456637, 3.603456637, 0.0]]},
 "ctime": 20.452077550675714,
 "energy": -131.47836709,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.000272, -0.000158, -0.000158, 0.000158, -0.000272, -0.000158, 0.000158, -0.000158, -0.000272, -0.002678, 0.002678, 0.002678, -0.004642, 0.004642, 0.004642, 0.001149, -0.001149, -0.003898, 0.001149, -0.003898, -0.001149, 0.003898, -0.001149, -0.001149, -0.003664, 0.003664, 0.003664, -0.000954, -0.002936, -0.002936, 0.002936, 0.000954, -0.002936, 0.002936, -0.002936, 0.000954, -0.001232, 0.001232, 0.002455, -0.001232, 0.002455, 0.001232, -0.002455, 0.001232, 0.001232, 0.0042, -0.0042, -0.0042]]},
 "free_energy": -131.4789567,
 "key_value_pairs": {"gap": 0.5191789999999994, "C_rate": 0.5, "mean_energy": 0.6922583068749999},
 "mtime": 25.64420621756141,
 "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", [-0.05352, 3.7236, 3.7236, 1.68158, 5.45871, 3.7236, 1.68158, 3.7236, 5.45871, -0.03405, 1.83578, 1.83578, 3.48023, 1.92495, 1.92495, 1.75148, 3.6537, 1.90191, 1.75148, 1.90191, 3.6537, 3.50328, 3.6537, 3.6537, 0.89635, 0.90537, 0.90537, 0.86227, 2.74877, 2.74877, 2.65641, 4.54291, 2.74877, 2.65641, 2.74877, 4.54291, 2.70631, 2.69888, 0.95946, 2.70631, 0.95946, 2.69888, 4.44573, 2.69888, 2.69888, 4.53299, 4.47565, 4.47565]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.00011632300557908628, -0.00011632300557908628, -0.00011632300557908628, -4.991334847968842e-05, 4.991334847968842e-05, 4.991334847968842e-05]]},
 "unique_id": "6b10888970db79236a2de3847a74a538",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}