{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [0.002621003, 3.618880537, 3.619041817, 3.619343989, 0.002157551, 3.619507155, 3.62150154, 3.62150154, 0.0]]},
 "ctime": 20.452077053371877,
 "energy": -135.60972345,
 "forces": {"__ndarray__": [[16, 3], "float64", [-0.001038, 0.002938, -0.001082, -0.002938, 0.001038, -0.001082, 0.002073, -0.002073, -0.005185, -0.000282, 0.000282, -0.003599, -0.001745, 0.001745, -0.000336, -0.001936, -0.004034, 0.002103, 0.004034, 0.001936, 0.002103, 0.002133, -0.002133, 0.004867, 0.0009, 0.002656, -0.000231, -0.002656, -0.0009, -0.000231, -0.00048, -0.001719, 0.001691, 0.001719, 0.00048, 0.001691, 0.001622, -0.001622, 0.004454, -0.001319, 0.001319, -0.001293, -0.000368, 0.000368, 0.001359, 0.000281, -0.000281, -0.005229]]},
 "free_energy": -135.60972346,
 "key_value_pairs": {"gap": 1.234527, "C_rate": 0.625, "mean_energy": 0.4800250968750017},
 "mtime": 25.64530193800314,
 "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", [3.6116, 0.02796, 3.63373, 5.40429, 1.82066, 3.63373, 5.4073, 3.64645, 1.83497, 3.60406, 1.82819, 1.83221, 0.03033, 1.78042, 1.79295, 1.83654, 1.79402, 3.58666, 3.63823, 3.59572, 3.58666, 2.72817, 2.70408, 0.92019, 2.72484, 0.94072, 2.71266, 4.49154, 2.70742, 2.71266, 0.9215, 2.71194, 2.71339, 2.72032, 4.51075, 2.71339, 4.51583, 4.53793, 4.52295, 1.83495, 3.5973, 1.80159, 0.88305, 0.9277, 0.9236, 2.72498, 2.70727, 4.51042]]},
 "stress": {"__ndarray__": [[6], "float64", [9.884678002661316e-05, 9.884678002661316e-05, -1.2476776742640634e-05, -6.785768721660278e-05, 6.785768721660278e-05, -6.983624560950778e-05]]},
 "unique_id": "423ea3ef0034d0a3a5cf42b6fd43fecf",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}