{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.003112165, 3.610778828, 3.626412536, 3.608925325, -0.0, 3.623290283, 3.61203749, 3.610778828, -0.003122253]]},
 "ctime": 20.452077234767476,
 "energy": -135.97181628,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.0, 0.004308, 0.0, -0.002327, -0.002677, -0.000661, 0.002327, -0.002677, 0.000661, -0.0, -0.00147, -0.0, -0.002524, 0.000989, -0.005729, 0.002524, 0.000989, 0.005729, -0.0, -0.00018, -0.0, -0.00187, 0.004416, 0.001535, -0.00369, -0.001513, -0.003113, 0.00187, 0.004416, -0.001535, 0.001524, -0.002534, -0.001963, 0.00369, -0.001513, 0.003113, -0.001524, -0.002534, 0.001963, 0.0, 0.001517, 0.0, -0.001194, -0.000769, 0.002727, 0.001194, -0.000769, -0.002727]]},
 "free_energy": -135.97181628,
 "key_value_pairs": {"gap": 1.995958, "C_rate": 0.625, "mean_energy": 0.4573942950000003},
 "mtime": 25.586658223364676,
 "numbers": {"__ndarray__": [[16], "int32", [5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [3.60893, 7.19684, 3.62329, 1.81386, 1.80901, 0.02533, 1.79507, 1.80901, 3.59796, 1.80446, 0.02044, 1.81165, 3.58699, 1.81396, 1.79259, 0.02194, 1.81396, 1.8307, 1.80446, 3.5863, 1.81165, 2.70089, 2.70999, 0.93931, 4.49924, 2.70921, 2.71285, 0.90804, 2.70999, 2.68398, 2.70329, 4.50761, 2.69627, 2.71861, 2.70921, 4.53373, 4.51456, 4.50761, 4.55031, 3.60893, 3.61624, 3.62329, 0.90432, 0.90498, 0.93525, 2.7046, 0.90498, 2.68804]]},
 "stress": {"__ndarray__": [[6], "float64", [3.960237540372928e-05, -0.0001443910721181833, 0.00017576089698487257, -0.0, 1.1059954171065134e-05, -0.0]]},
 "unique_id": "6df72d970065d1c843eae4273b3f5221",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}