{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [-0.002070437, 3.608165013, 3.618393671, 3.608165013, -0.002070437, 3.618393671, 3.606094576, 3.606094576, 0.0]]},
 "ctime": 20.452076721314267,
 "energy": -136.00172939,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.002771, 0.002771, -0.003192, -0.002771, -0.002771, -0.003192, 0.000274, -0.000274, -0.001994, -0.000274, 0.000274, -0.001994, 0.004261, 0.004261, -0.001317, -0.004261, -0.004261, -0.001317, -0.0, 0.0, -0.003071, 0.0, -0.0, 0.006305, 0.000547, 0.000911, 0.001514, -0.000911, -0.000547, 0.001514, 0.000911, 0.000547, 0.001514, -0.000547, -0.000911, 0.001514, 0.0, 0.0, 0.000157, -0.0, 0.0, -0.001439, -0.001071, 0.001071, 0.002499, 0.001071, -0.001071, 0.002499]]},
 "free_energy": -136.00172997,
 "key_value_pairs": {"gap": 0.9262879999999996, "C_rate": 0.75, "mean_energy": 0.5015012881249996},
 "mtime": 25.569756924463697,
 "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", [3.58891, 3.58891, 0.01384, 1.82023, 1.82023, 0.01384, 3.58939, 1.81975, 1.7968, 1.81975, 3.58939, 1.7968, 5.3958, 5.3958, 3.60293, 3.61943, 3.61943, 3.60293, 0.90152, 0.90152, 0.89805, 2.70457, 2.70457, 0.9373, 2.71342, 0.92063, 2.71357, 4.48852, 2.69572, 2.71357, 0.92063, 2.71342, 2.71357, 2.69572, 4.48852, 2.71357, 2.70457, 2.70457, 4.49923, 4.50762, 4.50762, 4.53146, 5.39219, 3.62305, 1.81825, 3.62305, 5.39219, 1.81825]]},
 "stress": {"__ndarray__": [[6], "float64", [4.151851870537543e-05, 4.151851870537543e-05, -0.00017390092726535933, 0.0, -0.0, -0.0001955090318591672]]},
 "unique_id": "f9b2345461155cfb1443ae5378f7eba2",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}