{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.00663364, 3.601788837, 3.610614535, 3.601788837, -0.00663364, 3.610614535, 3.595155197, 3.595155197, 0.0]]},
 "ctime": 20.45207685717237,
 "energy": -138.33057247,
 "forces": {"__ndarray__": [[16, 3], "float64", [-0.000464, -0.000464, -0.004375, 0.000464, 0.000464, -0.004375, -0.003453, 0.003453, -0.001814, -0.001109, 0.001109, -0.001444, 0.003453, -0.003453, -0.001814, 0.001109, -0.001109, -0.001444, -0.001598, -0.001598, 0.00348, 0.001598, 0.001598, 0.00348, 0.0, -0.0, 0.001599, 0.001768, 0.001584, 0.00021, -0.001584, -0.001768, 0.00021, 0.001584, 0.001768, 0.00021, -0.001768, -0.001584, 0.00021, 0.0, -0.0, 0.000926, -0.0, 0.0, -0.003077, 0.0, -0.0, 0.008016]]},
 "free_energy": -138.33057247,
 "key_value_pairs": {"gap": 1.390770999999999, "C_rate": 0.75, "mean_energy": 0.3559485956250006},
 "mtime": 25.56982522318669,
 "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", [3.59256, 3.59256, 0.01262, 1.80018, 1.80018, 0.01262, 5.3807, 3.60719, 1.81144, 3.56274, 1.82999, 1.81944, 3.60719, 5.3807, 1.81144, 1.82999, 3.56274, 1.81944, 1.80738, 1.80738, 3.58143, 3.58535, 3.58535, 3.58143, 2.69637, 2.69637, 0.92555, 2.6872, 0.90489, 2.69544, 4.48784, 2.70554, 2.69544, 0.90489, 2.6872, 2.69544, 2.70554, 4.48784, 2.69544, 2.69637, 2.69637, 4.51176, 0.89879, 0.89879, 0.92625, 4.49394, 4.49394, 4.51098]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00012225868075780127, 0.00012225868075780127, 0.00025654474960117957, 0.0, 0.0, -5.317141624339948e-05]]},
 "unique_id": "5a1d50e69a46efe3e7f6cb0cd1bddf98",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}