{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.007908408, 3.616450039, 3.619760598, 3.619748146, -0.007904363, 3.619760598, 3.611839738, 3.608545677, 0.0]]},
 "ctime": 20.45207764778677,
 "energy": -137.21205922,
 "forces": {"__ndarray__": [[16, 3], "float64", [-0.002341, -0.00095, -0.001039, 0.002341, 0.00095, -0.001039, -0.002687, 0.003382, 0.000739, 0.002687, -0.003382, 0.000739, 0.000877, -0.001732, 0.00025, -0.000877, 0.001732, 0.00025, -0.000754, 0.001481, 0.003986, 0.000754, -0.001481, 0.003986, -0.000377, -0.000531, -0.000909, 0.000377, 0.000531, -0.000909, -0.0, 0.0, -0.000791, -0.0, 0.0, -0.000742, -0.0, 0.0, -0.006742, 0.0, -0.0, 0.001002, -0.000178, 0.002137, 0.000608, 0.000178, -0.002137, 0.000608]]},
 "free_energy": -137.21205922,
 "key_value_pairs": {"gap": 2.361680999999999, "C_rate": 0.5, "mean_energy": 0.33390254875000114},
 "mtime": 25.58753526611434,
 "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", [0.02433, 3.63742, 3.6297, 5.39343, 1.7754, 3.6297, 1.78737, 3.61553, 5.40519, 3.63039, 1.79729, 5.40519, 3.61557, 1.81765, 1.83869, 1.80219, 3.59517, 1.83869, 1.81838, 1.83528, 3.61475, 3.59938, 3.57754, 3.61475, 4.48053, 2.71211, 2.7148, 0.93723, 2.70071, 2.7148, 2.70888, 2.70641, 4.48892, 4.5148, 4.51068, 4.51253, 0.90296, 0.90214, 0.90573, 2.70888, 2.70641, 0.94305, 2.70717, 0.93002, 2.71009, 2.71059, 4.4828, 2.71009]]},
 "stress": {"__ndarray__": [[6], "float64", [-6.426881946921991e-05, 6.430626852397521e-05, 1.9205123580342784e-05, -0.0, -0.0, -1.2551674852151233e-05]]},
 "unique_id": "b637f011f8d3915ddf60fe928d260036",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}