{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.016186528, 3.616525532, 3.621765841, 3.603367692, -9.5054e-05, 3.60567433, 3.609977299, 3.607040525, -0.006705061]]},
 "ctime": 20.45207712341609,
 "energy": -137.02737546,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.003737, 0.002701, -0.002531, -0.001657, 0.002465, -0.002039, 0.002333, -0.001818, 0.000917, -0.000996, -0.00289, -0.00302, -2.4e-05, -0.000761, -0.000673, -0.00283, -0.004552, 0.003912, -0.001516, 0.000427, 0.001737, -0.004703, 0.001544, -0.001849, -0.001712, 0.000542, -0.000315, 0.004968, -0.001696, -0.002449, 0.003468, -6.5e-05, 0.004457, 0.000275, -0.00217, 0.001586, -0.002547, -0.001819, 0.000493, -0.000855, 0.004624, -0.00098, 0.005006, 7.5e-05, 0.001714, -0.002945, 0.003395, -0.000959]]},
 "free_energy": -137.02737546,
 "key_value_pairs": {"gap": 2.031391000000001, "C_rate": 0.625, "mean_energy": 0.391421846250001},
 "mtime": 25.644206246102577,
 "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", [3.60604, 0.02392, 3.62634, 5.38253, 1.80406, 3.61263, 5.39032, 3.60836, 1.79415, 3.59994, 1.83453, 1.82184, 0.00344, 1.7926, 1.78616, 1.82151, 1.81458, 3.6011, 3.60054, 3.58363, 3.5921, 2.70169, 2.69776, 0.92374, 4.47348, 2.70424, 2.70878, 0.90555, 2.69337, 2.69934, 2.71634, 4.50845, 2.71279, 2.71441, 2.69914, 4.49601, 4.4874, 4.51219, 4.49965, 1.81736, 3.5965, 1.80677, 0.88223, 0.92085, 0.92247, 2.69971, 0.93001, 2.70447]]},
 "stress": {"__ndarray__": [[6], "float64", [5.8426766927393173e-05, -8.982155783058597e-05, -3.2867787056901236e-05, 3.8154345286524356e-05, 1.725153122394133e-05, -3.108895695602451e-05]]},
 "unique_id": "2ab400c2d92009a43349da7c2c12d2b1",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}