{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.448633, 0.0, 0.0, 0.0, 4.448633, 0.0, 0.0, 0.0, 8.900953]]}, "__ase_objtype__": "cell"}, "ctime": 24.797892230225777, "dipole": {"__ndarray__": [[3], "float64", [-4.732444925013412e-05, -4.801205668668666e-05, 2.8978687902989907e-06]]}, "energy": -29.258030285074227, "forces": {"__ndarray__": [[6, 3], "float64", [0.00011137460971684747, -0.00011137534454835534, 3.895675789225381e-06, -0.00011137534454835534, 0.00011137460971684747, 3.895675789225381e-06, 7.678464225166953e-05, 7.678464225166953e-05, -0.010319772116973281, -7.678085463640487e-05, -7.678085463640487e-05, 0.010355028090641897, 0.00011552080765916759, 0.00011552080765916759, -0.031158855929001753, -0.0001155242608247304, -0.0001155242608247304, 0.031115417238407567]]}, "mtime": 24.797892230225777, "numbers": {"__ndarray__": [[6], "int64", [52, 52, 52, 52, 39, 39]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[6, 3], "float64", [3.336470000194546, 1.1121600000922223, 0.0, 1.1121600000922223, 3.336470000194546, 0.0, 3.336470000194546, 3.336470000194546, 3.3124600000845086, 1.1121600000922223, 1.1121600000922223, 5.58849000029433, 1.1121600000922223, 1.1121600000922223, 2.412329999767372, 3.336470000194546, 3.336470000194546, 6.488629999942066]]}, "stress": {"__ndarray__": [[6], "float64", [0.0010917168626409022, 0.0010917168626409022, 0.002006678863119521, -4.9094836820698405e-06, -4.9094836820698405e-06, -1.6184496559450358e-07]]}, "unique_id": "d22c717450c2e9b735bff98ddc76dc99", "user": "cmr"}, "ids": [1], "nextid": 2}