{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.466718776130281, -3.31395074909495e-20, 0.0, 1.6410569732397812e-16, 8.279794868792408, 0.0, -8.165578504242822e-16, -1.0951199955445506e-33, 35.54705620000001]]}, "__ase_objtype__": "cell"}, "ctime": 25.015504049524267, "dipole": {"__ndarray__": [[3], "float64", [2.24112314876756e-12, 6.542236776837683, 8.156464978952413e-13]]}, "energy": -62.40381646114967, "forces": {"__ndarray__": [[14, 3], "float64", [0.0, -0.00402728, -0.00264176, 0.0, 0.00184055, -0.00091406, 0.0, 0.00184055, 0.00091406, 0.0, 0.00291869, -0.00027801, 0.0, 0.00291869, 0.00027801, 0.0, -0.00288781, -0.0023345, 0.0, -0.00288781, 0.0023345, 0.0, -0.00402728, 0.00264176, 0.0, -0.00236597, -0.00235371, 0.0, -0.00236597, 0.00235371, -0.00056903, 0.00224864, -7.767e-05, -0.00056903, 0.00224864, 7.767e-05, 0.00056903, 0.00224864, -7.767e-05, 0.00056903, 0.00224864, 7.767e-05]]}, "free_energy": -62.40393305041797, "initial_magmoms": {"__ndarray__": [[14], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[14], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 25.015504049524267, "numbers": {"__ndarray__": [[14], "int64", [16, 15, 15, 15, 15, 16, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[14, 3], "float64", [-0.0, 0.92239188, 20.91759903, 3.23335939, 3.76613101, 16.05060512, -0.0, 7.90602844, 19.49645108, 3.23335939, 6.45087064, 18.38525536, -0.0, 2.31097321, 17.16180084, 3.23335939, 4.25411789, 18.07849618, -0.0, 0.11422045, 17.46856002, 3.23335939, 5.06228932, 14.62945717, 3.23335939, 7.62260081, 16.87817767, -0.0, 3.48270338, 18.66887853, 4.90546866, 2.38502328, 15.67162375, 1.67210927, 6.52492072, 19.87543245, 1.56125012, 2.38502328, 15.67162375, 4.79460951, 6.52492072, 19.87543245]]}, "stress": {"__ndarray__": [[6], "float64", [2.1529717083169506e-05, 2.3366047657461947e-05, 4.740270241648478e-05, -1.4146458903277683e-31, 4.945630209502722e-22, 0.0]]}, "unique_id": "9dace2f34e9d6cdbaba8ab7e09681674", "user": "cmr"}, "ids": [1], "nextid": 2}