{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.017029606, 3.603383931, 3.620590264, 3.603383931, -0.017029606, 3.620590264, 3.593902373, 3.593902373, -0.007564887]]},
 "ctime": 20.452077027649935,
 "energy": -137.03132736,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.000232, 0.000232, 0.001351, 7.5e-05, 7.5e-05, -0.00133, 0.002662, 0.002662, -0.00124, 0.003332, -0.001822, 0.000633, 0.000752, -0.001373, -0.003332, -0.001822, 0.003332, 0.000633, -0.001373, 0.000752, -0.003332, 0.000231, 0.000231, -0.002752, -0.002916, 0.001865, 0.000301, -0.003035, 0.001957, -0.002851, 0.001865, -0.002916, 0.000301, 0.001957, -0.003035, -0.002851, 0.000208, 0.000208, 0.006414, -0.000344, -0.000344, 0.004165, 0.00074, 0.00074, 0.00361, -0.002562, -0.002562, 0.00028]]},
 "free_energy": -137.03132736,
 "key_value_pairs": {"gap": 1.3432389999999987, "C_rate": 0.625, "mean_energy": 0.3911748525000007},
 "mtime": 25.649807222283112,
 "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", [7.17482, 7.17482, 7.22399, 1.80134, 1.80134, 0.00728, 1.7843, 1.7843, 3.60107, 5.39665, 3.60901, 1.83312, 3.58993, 1.77881, 1.81059, 3.60901, 5.39665, 1.83312, 1.77881, 3.58993, 1.81059, 3.6025, 3.6025, 3.61157, 2.69906, 0.89668, 2.67983, 4.47466, 2.69551, 2.69778, 0.89668, 2.69906, 2.67983, 2.69551, 4.47466, 2.69778, 4.47556, 4.47556, 4.52838, 0.89771, 0.89771, 0.92626, 2.69491, 2.69491, 0.92738, 2.69789, 2.69789, 4.51798]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00018262655702334417, 0.00018262655702334417, 0.0001885372661655556, 4.1637107378767215e-05, 4.1637107378767215e-05, 0.0001866273643730353]]},
 "unique_id": "5b07ba646cb99eab5abc441408079bf1",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}