{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.001256037, 3.62749109, 3.612437826, 3.62749109, -0.001256037, 3.612437826, 3.626235053, 3.626235053, 0.0]]},
 "ctime": 20.452077368280776,
 "energy": -135.1870878,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.0, -0.0, 0.004943, 0.0, -0.0, 0.004943, 0.00112, -0.00112, -0.002951, -0.00112, 0.00112, -0.002951, 0.000373, -0.000373, -0.00276, -0.000373, 0.000373, -0.00276, 0.0, -0.0, 0.002155, 0.0, -0.0, 0.002155, 0.0015, -0.0015, -0.001274, -0.0015, 0.0015, -0.001274, -0.000918, 0.000918, 0.001438, 0.000918, -0.000918, 0.001438, -0.006602, 0.001292, -0.000775, -0.001292, 0.006602, -0.000775, 0.006602, -0.001292, -0.000775, 0.001292, -0.006602, -0.000775]]},
 "free_energy": -135.1870878,
 "key_value_pairs": {"gap": 1.5202209999999994, "C_rate": 0.5, "mean_energy": 0.46046326250000025},
 "mtime": 25.644110443046063,
 "numbers": {"__ndarray__": [[16], "int32", [5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [3.62624, 3.62624, 0.03132, 1.81312, 1.81312, 0.03132, 1.79339, 0.01973, 1.79663, 1.83285, 3.60651, 1.79663, 3.5982, 1.84115, 1.78416, 0.02803, 1.78508, 1.78416, 1.81312, 1.81312, 3.60355, 3.62624, 3.62624, 3.60355, 0.88938, 0.92374, 0.92127, 2.73686, 2.7025, 0.92127, 2.72974, 2.70962, 4.50314, 4.52273, 4.54285, 4.50314, 2.7165, 0.93693, 2.71106, 4.50242, 2.72285, 2.71106, 0.90973, 2.6893, 2.71106, 2.75005, 4.52962, 2.71106]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.00017100486703094952, -0.00017100486703094952, 0.00022496271342421027, -0.0, 0.0, 9.923999510154382e-07]]},
 "unique_id": "f0822f4b664484ac73c72cb5002ec119",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}