{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.4251942520205105, -0.01781481761660187, 0.0, -3.228002090081717, 5.589395153371418, 0.0, -6.760066135677316e-17, 1.7643975326697373e-18, 33.19]]}, "__ase_objtype__": "cell"}, "ctime": 24.97368957326615, "dipole": {"__ndarray__": [[3], "float64", [13.485328741652074, -7.861444418803026, -9.538465709275778e-14]]}, "energy": -82.29604269786401, "forces": {"__ndarray__": [[12, 3], "float64", [-0.0034785777303423314, 0.000980143323788833, 0.0, 0.0015137255885613343, 0.0020806946668622175, 0.0, -0.003495495179816269, 0.0010094292470991517, 0.0, 0.0015291140848877778, 0.0020904345162851604, 0.0, -0.0017075652229503414, -0.0017223623354775286, 0.00034558640105364114, 0.002111464032132814, -0.00014149152584510733, -0.0004793902494017053, -0.0017150256811335033, -0.001725278305134452, 0.00032149828431217334, 0.002125740415415994, -0.00016561623995521842, -0.0004791960210000837, -0.0017075652229503414, -0.0017223623354775286, -0.00034558640105364114, 0.002111464032132814, -0.00014149152584510733, 0.0004793902494017053, -0.0017150256811335033, -0.001725278305134452, -0.00032149828431217334, 0.002125740415415994, -0.00016561623995521842, 0.0004791960210000837]]}, "free_energy": -82.38879867586485, "initial_magmoms": {"__ndarray__": [[12], "float64", [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0]]}, "magmom": 1.6840962942819138, "magmoms": {"__ndarray__": [[12], "float64", [0.07137413635121055, 0.7809981964646512, 0.07137412770387007, 0.7808556737787523, -0.004354600469194966, -0.02700319204049994, -0.004350776029706904, -0.027003198067179254, -0.004354600469194966, -0.02700319204049994, -0.004350776029706904, -0.027003198067179254]]}, "mtime": 24.97368957326615, "numbers": {"__ndarray__": [[12], "int64", [41, 24, 41, 24, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [-0.0398065712664133, 5.566405869205236, 16.595, 3.232239535647713, 5.591722045511702, 16.595, 1.5741949415010394, 2.771707422494596, 16.595, 4.8462432465157965, 2.7970260442345585, 16.595, 1.5349919725069905, 0.8859335378423082, 18.160029430742366, 4.879670439742905, 0.953335356976737, 18.065643804043905, -0.07900916662281016, 3.6806310105337134, 18.16003041977709, 3.265670061623298, 3.748031741572263, 18.06564382662587, 1.5349919725069905, 0.8859335378423082, 15.029970569257635, 4.879670439742905, 0.953335356976737, 15.124356195956103, -0.07900916662281016, 3.6806310105337134, 15.029969580222895, 3.265670061623298, 3.748031741572263, 15.12435617337413]]}, "stress": {"__ndarray__": [[6], "float64", [1.26204069708964e-05, -2.1497885044772165e-05, 8.979799904021366e-05, -2.0083327077267185e-23, 2.625901463874511e-23, -1.0421440918692552e-05]]}, "tags": {"__ndarray__": [[12], "int64", [1, 2, 1, 2, 0, 0, 0, 0, 0, 0, 0, 0]]}, "unique_id": "307f0dcde6c7404897263ad0cc49083c", "user": "cmr"}, "ids": [1], "nextid": 2}