{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [0.010100499, 3.612189913, 3.612277698, 3.622746662, -0.000456249, 3.622834179, 3.622290412, 3.622290412, 0.0]]},
 "ctime": 20.452076902163252,
 "energy": -136.20546742,
 "forces": {"__ndarray__": [[16, 3], "float64", [7e-05, 0.000428, -0.00016, -0.000428, -7e-05, -0.00016, 0.001765, -0.001765, -0.004089, 0.001164, -0.001164, 0.001234, -0.001647, 0.001647, 0.001416, -0.002663, 0.002663, -0.000105, -0.001496, -0.000642, 0.002009, 0.000642, 0.001496, 0.002009, -0.001244, 0.001244, -0.001006, -0.002833, -0.000128, -0.002041, 0.000128, 0.002833, -0.002041, 0.003805, -0.003805, 0.001045, -0.00245, 0.00245, -0.00028, -0.001355, 0.001355, 0.001856, 0.003879, -0.002664, 0.000156, 0.002664, -0.003879, 0.000156]]},
 "free_energy": -136.20546742,
 "key_value_pairs": {"gap": 1.4795480000000012, "C_rate": 0.625, "mean_energy": 0.44279109875000167},
 "mtime": 25.57361306183318,
 "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", [7.21711, 3.64786, 3.64216, 5.40787, 1.83862, 3.64216, 5.42336, 3.63237, 1.83036, 3.61193, 1.8215, 1.8337, 3.64282, 1.79061, 5.37922, 1.84063, 3.59281, 1.77003, 1.85429, 1.78118, 3.60765, 3.65225, 3.57914, 3.60765, 2.7284, 2.70504, 0.94491, 2.71968, 0.93681, 2.7058, 4.49662, 2.71376, 2.7058, 2.72237, 2.71107, 4.49844, 4.52553, 4.5302, 4.52132, 0.88576, 0.92538, 0.9332, 0.92958, 2.70312, 2.71083, 2.73031, 4.50386, 2.71083]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0001335370877482723, 0.0001335370877482723, 3.693725100697712e-05, -8.087123374406937e-05, 8.087123374406937e-05, 0.00013135255955421316]]},
 "unique_id": "19f82aa9cbcac24177dd46be5cacf363",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}