{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.000139314, 3.613097985, 3.622337159, 3.613097985, -0.000139314, 3.622337159, 3.612958671, 3.612958671, 0.0]]},
 "ctime": 20.452076692543425,
 "energy": -135.21209612,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.0, -0.0, 0.01119, 0.0, -0.0, 0.01119, -0.001229, 0.001229, 0.00182, -0.001229, 0.001229, 0.00182, 0.001229, -0.001229, 0.00182, 0.001229, -0.001229, 0.00182, 0.0, -0.0, 0.008148, 0.0, -0.0, 0.008148, -0.0, 0.0, -0.006435, -0.0, 0.0, -0.006435, 0.000419, -0.000419, -0.013418, 0.000419, -0.000419, -0.013418, -0.000419, 0.000419, -0.013418, -0.000419, 0.000419, -0.013418, 0.0, -0.0, 0.010293, 0.0, -0.0, 0.010293]]},
 "free_energy": -135.21403995,
 "key_value_pairs": {"gap": 0.009394000000000347, "C_rate": 0.75, "mean_energy": 0.5508533674999994},
 "mtime": 25.569594436733293,
 "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", [3.61296, 3.61296, 0.01775, 1.80648, 1.80648, 0.01775, 5.37404, 3.65836, 1.82519, 3.56756, 1.85188, 1.82519, 3.65836, 5.37404, 1.82519, 1.85188, 3.56756, 1.82519, 1.80648, 1.80648, 3.57224, 3.61296, 3.61296, 3.57224, 0.90324, 0.90324, 0.9224, 2.70972, 2.70972, 0.9224, 2.7069, 0.90605, 2.70771, 4.51338, 2.71253, 2.70771, 0.90605, 2.7069, 2.70771, 2.71253, 4.51338, 2.70771, 2.70972, 2.70972, 4.5335, 4.5162, 4.5162, 4.5335]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0004912254927343902, 0.0004912254927343902, 0.0004749351539158348, 0.0, -0.0, -6.991114371901838e-05]]},
 "unique_id": "45c9d7477f3e06c1b5ce21c868217d97",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}