{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.763448631533821, 0.00014018228633970478, 0.0, -2.38160291434578, 4.125057251100998, 0.0, 7.495795968527332e-17, 4.1349715012555513e-22, 30.0]]}, "__ase_objtype__": "cell"}, "ctime": 24.863885514765776, "dipole": {"__ndarray__": [[3], "float64", [-0.0062767083945301306, -0.003623626052491657, 3.3616443534917085e-14]]}, "energy": -8.863132614956541, "forces": {"__ndarray__": [[3, 3], "float64", [0.00273416, 0.00157857, 0.0, -0.00142097, -0.0008204, 0.0, -0.00127186, -0.00073431, 0.0]]}, "free_energy": -8.869704064637249, "initial_magmoms": {"__ndarray__": [[3], "float64", [0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[3], "float64", [0.0, 0.0, 0.0]]}, "mtime": 24.863885514765776, "numbers": {"__ndarray__": [[3], "int64", [34, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[3, 3], "float64", [0.00010511, 6.069e-05, 15.0, 2.38139556, 1.37489936, 15.0, -0.00036843, 2.74982546, 15.0]]}, "stress": {"__ndarray__": [[6], "float64", [0.0009441684296099857, 0.0009439813194255483, 0.00011831500829327633, -4.186446462000384e-25, -2.3590976373940957e-21, 1.6204217303019443e-07]]}, "unique_id": "11c18c8bae6d77ba827d74750ce9c8b8", "user": "cmr"}, "ids": [1], "nextid": 2}