{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.5433316037062434, -2.6923734338015738e-70, 0.0, 1.4327642542676596e-18, 6.489992552208287, 0.0, -8.88364468474221e-21, -7.407658495574551e-41, 22.03107185]]}, "__ase_objtype__": "cell"}, "ctime": 24.891454673407786, "dipole": {"__ndarray__": [[3], "float64", [-3.0437518158932324e-14, 1.7978648558695855e-14, -1.225940567416377e-13]]}, "energy": -21.29888783077302, "forces": {"__ndarray__": [[8, 3], "float64", [-0.0, 0.0, 0.00238467, 0.0, 0.0, -0.00238467, -0.0, 0.0, 0.00130233, 0.0, 0.0, -0.00130233, 0.0007947, -0.00337425, 0.00858171, -0.0007947, 0.00337425, 0.00858171, -0.0007947, -0.00337425, -0.00858171, 0.0007947, 0.00337425, -0.00858171]]}, "free_energy": -21.29888783079066, "initial_magmoms": {"__ndarray__": [[8], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[8], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.891454673407786, "numbers": {"__ndarray__": [[8], "int64", [53, 53, 53, 53, 29, 29, 29, 29]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[8, 3], "float64", [0.0, 3.24499628, 11.81029553, 2.2716658, -0.0, 10.22077632, 0.0, 0.0, 14.54598535, 2.2716658, 3.24499628, 7.4850865, 1.13013557, 0.65501698, 12.40198651, 3.41319603, 5.83497557, 12.40198651, 1.14153023, 3.90001326, 9.62908534, 3.40180137, 2.5899793, 9.62908534]]}, "stress": {"__ndarray__": [[6], "float64", [4.6390724101204854e-05, -8.955873592444428e-05, 0.0003668541062971058, 0.0, 1.870625163542392e-26, 0.0]]}, "unique_id": "6f889dc90aa88f1b2f8e7c4c838fcbac", "user": "cmr"}, "ids": [1], "nextid": 2}