{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.008037156, 3.603904034, 3.612001678, 3.603904034, -0.008037156, 3.612001678, 3.595866878, 3.595866878, 0.0]]},
 "ctime": 20.45207671230682,
 "energy": -137.89054797,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.002189, 0.002189, -0.00184, -0.002189, -0.002189, -0.00184, 0.000669, -0.000669, -0.00043, -0.000673, 0.000673, -0.003338, -0.000669, 0.000669, -0.00043, 0.000673, -0.000673, -0.003338, -0.001381, -0.001381, 0.000557, 0.001381, 0.001381, 0.000557, -0.0, -0.0, 2.4e-05, 0.002468, 0.000985, 0.002215, -0.000985, -0.002468, 0.002215, 0.000985, 0.002468, 0.002215, -0.002468, -0.000985, 0.002215, 0.0, -0.0, 0.000715, 0.0, -0.0, 0.001304, -0.0, 0.0, -0.000802]]},
 "free_energy": -137.89054805,
 "key_value_pairs": {"gap": 1.069604, "C_rate": 0.75, "mean_energy": 0.38345012687500013},
 "mtime": 25.569969056181147,
 "numbers": {"__ndarray__": [[16], "int32", [5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [3.58348, 3.58348, 0.01197, 1.81032, 1.81032, 0.01197, 5.3673, 3.62237, 1.84002, 3.58068, 1.81312, 1.79508, 3.62237, 5.3673, 1.84002, 1.81312, 3.58068, 1.79508, 5.37824, 5.37824, 3.58128, 3.61142, 3.61142, 3.58128, 2.6969, 2.6969, 0.93234, 2.70151, 0.91654, 2.69521, 4.47726, 2.69229, 2.69521, 0.91654, 2.70151, 2.69521, 2.69229, 4.47726, 2.69521, 4.49483, 4.49483, 4.52621, 0.89897, 0.89897, 0.9239, 2.6969, 2.6969, 4.50001]]},
 "stress": {"__ndarray__": [[6], "float64", [-2.683848924129801e-06, -2.683848924129801e-06, -5.3115242661266524e-05, 0.0, -0.0, -5.681021606378942e-05]]},
 "unique_id": "4aebd9afaed8c195363e5ef1c57a91d9",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}