{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.005782377, 3.633613293, 3.629077774, 3.646023515, 0.00279051, 3.620526506, 3.640514318, 3.619561171, 0.008283318]]},
 "ctime": 20.452077918854044,
 "energy": -134.24435629,
 "forces": {"__ndarray__": [[16, 3], "float64", [-0.004418, 0.003369, 0.000632, 0.001854, 0.000447, 0.001879, -0.002814, -0.001506, -0.003759, -0.002203, -0.001429, 0.001437, -0.001915, -0.000133, -0.001503, -0.000729, -0.000119, -0.000167, -0.002911, 0.000203, 0.001438, -0.005171, -0.000762, -0.001772, 0.003786, -0.000168, 0.00443, 0.006182, 0.002439, -0.001334, 0.003018, 0.001022, -0.00126, -0.001602, 0.002165, -0.000796, 0.002413, 0.003294, -4e-05, -0.000418, -0.003735, 0.000476, 0.001711, -0.003165, -0.000943, 0.00322, -0.001922, 0.001282]]},
 "free_energy": -134.24435629,
 "key_value_pairs": {"gap": 1.5590030000000006, "C_rate": 0.375, "mean_energy": 0.4734074193749991},
 "mtime": 25.649330566307196,
 "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", [0.00319, 3.62724, 3.61794, 1.82777, 1.7981, 0.03031, 1.82769, 0.03842, 1.80894, 1.8175, 3.60052, 1.83439, 1.81672, 1.8221, 3.58551, 3.58196, 1.79409, 1.82014, 0.03593, 1.82057, 1.8432, 3.62049, 3.64315, 3.62478, 2.75274, 0.92397, 2.70517, 0.89048, 2.70692, 2.70134, 2.75696, 4.53485, 2.71668, 0.89013, 0.92681, 0.92283, 2.75433, 2.69792, 0.93111, 4.52994, 2.72399, 2.72553, 2.76107, 2.72695, 4.5221, 4.53109, 4.52784, 4.52853]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0001861904587342235, 4.690494108101268e-05, 4.3840360100204e-05, 6.7657958924574524e-06, 1.1602965465016976e-05, -7.5335015149410936e-06]]},
 "unique_id": "418024afcc2a5231e8df4ca02fcc1f85",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}