{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [0.006344236, 3.642728821, 3.645671898, 3.642728821, 0.006344236, 3.645671898, 3.649073056, 3.649073056, 0.0]]},
 "ctime": 20.452078116738697,
 "energy": -132.26517212,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.0, -0.0, 7.8e-05, 0.0, -0.0, 7.8e-05, -0.001055, 0.001055, 0.000505, -0.001055, 0.001055, 0.000505, 0.001055, -0.001055, 0.000505, 0.001055, -0.001055, 0.000505, -0.0, 0.0, -0.001595, -0.0, 0.0, -0.001595, -0.0, 0.0, -0.001626, -0.0, 0.0, -0.001626, 0.002655, -0.002655, 0.00132, 0.002655, -0.002655, 0.00132, -0.002655, 0.002655, 0.00132, -0.002655, 0.002655, 0.00132, -0.0, 0.0, -0.000507, -0.0, 0.0, -0.000507]]},
 "free_energy": -132.26517214,
 "key_value_pairs": {"gap": 1.2093430000000005, "C_rate": 0.25, "mean_energy": 0.5511298675000011},
 "mtime": 25.649807216249403,
 "numbers": {"__ndarray__": [[16], "int32", [5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [3.64907, 3.64907, 0.05285, 1.82454, 1.82454, 0.05285, 1.77318, 0.05135, 1.81842, 3.59772, 1.87589, 1.81842, 0.05135, 1.77318, 1.81842, 1.87589, 3.59772, 1.81842, 1.82454, 1.82454, 3.59113, 3.64907, 3.64907, 3.59113, 0.91227, 0.91227, 0.89938, 2.7368, 2.7368, 0.89938, 2.70884, 0.94023, 2.75647, 4.53338, 2.76477, 2.75647, 0.94023, 2.70884, 2.75647, 2.76477, 4.53338, 2.75647, 2.7368, 2.7368, 4.53522, 4.56134, 4.56134, 4.53522]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00015185591703273968, 0.00015185591703273968, 0.00014582037770801058, 0.0, -0.0, 0.00023100449425806526]]},
 "unique_id": "ddc88f0db10b85430244db893d024296",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}