{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [8.68135241807378, -4.259435231406434e-17, -4.705634099470832e-17, 4.2037840800721457e-16, 5.994701298334456, 7.719511919942897e-07, 4.000766246783615e-16, 7.579484254123658e-07, 6.876175469498761]]}, "__ase_objtype__": "cell"}, "ctime": 24.376366135670967, "energy": 481.7416648705452, "forces": {"__ndarray__": [[16, 3], "float64", [0.0, 0.005997156820526248, -0.006835205975895562, -1.393797921329862e-18, -0.005997560342100437, -0.006834388597829348, 1.4482431526318096e-18, 0.008705022155295446, 0.014410053935535147, 1.7422474016623274e-19, -0.008705872246812308, 0.01440986351567417, -0.0024014775055713573, 0.002962667615573311, -0.003734295295068325, 0.0024014775055713573, 0.002962667615573311, -0.003734295295068325, 0.0024020868082696317, -0.002962681304871233, -0.003734342755009688, -0.002402086808269633, -0.002962681304871233, -0.003734342755009688, 0.0, -0.0020968244116879578, 1.9377718554995633e-05, 0.0, 0.002097002702307395, 1.9299214516058355e-05, 0.0, 4.603215894449495e-06, 0.0032171023655019524, 0.0, -4.030788410995514e-06, 0.00321445349392119, 0.003747957696504428, -0.0028815056140999874, -0.0009882348741321208, -0.003747957696504428, -0.0028815056140999874, -0.0009882348741321208, -0.003748182648958238, 0.0028823502787695982, -0.0009895816355861313, 0.003748182648958238, 0.0028823502787695982, -0.0009895816355861313]]}, "mtime": 24.376366135670967, "numbers": {"__ndarray__": [[16], "int64", [40, 40, 56, 56, 29, 29, 29, 29, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[16, 3], "float64", [4.340676209036891, 1.4283842175688273, 3.3121811654701907, 3.753849929082999e-16, 4.566310327354368, -0.1259083076165886, 4.340676209036895, 4.4903151975050255, 6.576272434884456, 3.573572921993616e-16, 1.5043810342292911, 3.138188580303347, 6.467537520183626, 4.050123177467561, 3.526314864214573, 2.2138148978901744, 4.050123177467561, 3.526314864214573, 6.554491094106482, 1.9445694207304394, 6.9644062112978675, 2.126861323967283, 1.9445694207304394, 6.9644062112978675, 4.340676209036891, 1.465191941668409, 0.8448569421985663, 6.337467061264393e-16, 4.529503630295891, 4.282942582998565, 4.340676209036895, 5.042882487896562, 3.572407729146055, 1.4200073678113145e-16, 0.9518105328998201, 0.1343268992862862, 6.8642897960289675, 3.8886531714112498, 1.275282387805658, 1.8170626220448078, 3.8886531714112498, 1.275282387805658, 6.157737940317251, 2.1060417936426505, 4.713373826052576, 2.5236144777565346, 2.1060417936426505, 4.713373826052576]]}, "stress": {"__ndarray__": [[6], "float64", [0.0002859742610877909, 0.0006947279661626154, -0.000401795955235861, 3.011351066134339e-09, -1.9442745070011416e-20, -1.9442745070011416e-20]]}, "unique_id": "7b17b6dcd5083ee3b0bd83aad74c9119", "user": "cmr"}, "ids": [1], "nextid": 2}