{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.056080834665868, 3.483134236559383e-21, 0.0, -2.028040417332932, 3.512694944127438, 0.0, 1.2382182761924579e-15, 2.144649058221266e-15, 20.22163904]]}, "__ase_objtype__": "cell"}, "ctime": 24.987309863709683, "dipole": {"__ndarray__": [[3], "float64", [10.60755301401266, -2.363983918522004, 5.352208721570232e-06]]}, "energy": -38.810104143840796, "forces": {"__ndarray__": [[6, 3], "float64", [4.319e-05, -2.82e-06, 0.0030166, 4.327e-05, -2.09e-06, -0.00360588, 2.506e-05, 0.0003597, -0.00014547, -5.575e-05, -1.711e-05, -0.00486482, -5.583e-05, -1.692e-05, 0.00511091, -1.04e-06, -0.00031887, 0.00035373]]}, "initial_magmoms": {"__ndarray__": [[6], "float64", [-0.04058685, -0.04059546, -0.05928774, 2.50831382, 2.50826566, 1.50230994]]}, "magmom": 6.317252967318886, "magmoms": {"__ndarray__": [[6], "float64", [-0.04051704, -0.04048049, -0.05927511, 2.50562854, 2.5053733, 1.49901919]]}, "mtime": 24.987309863709683, "numbers": {"__ndarray__": [[6], "int64", [52, 52, 32, 26, 26, 26]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [2.3659053, 1.7565516, 12.68631553, 2.36590532, 1.75655152, 7.53540528, 0.33787193, 2.92740936, 10.11083463, 0.33787671, 0.58565407, 11.35272817, 0.33787674, 0.58565409, 8.86891758, 2.36591399, 1.7565353, 10.110833]]}, "stress": {"__ndarray__": [[6], "float64", [5.917656588972003e-06, 9.487906181957872e-06, 0.0005715740885375283, 2.8364035566048537e-09, -2.834417151777769e-10, -2.64479394375433e-07]]}, "tags": {"__ndarray__": [[6], "int32", [0, 0, 1, 2, 2, 3]]}, "unique_id": "a509bf6be10eff20df06f32b5bb268d2", "user": "cmr"}, "ids": [1], "nextid": 2}