{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.234669, -0.008503, -0.005733, 2.534005, 3.392833, -0.005733, 2.534005, 1.267, 3.147389]]}, "__ase_objtype__": "cell"}, "ctime": 24.891395442442203, "dipole": {"__ndarray__": [[3], "float64", [6.433568724711801e-06, 6.412356899247492e-10, -1.929598402377606e-05]]}, "energy": -9.32621793367076, "forces": {"__ndarray__": [[2, 3], "float64", [-0.01689480936336138, -0.008471326347175503, -0.005684396243921188, 0.016894809358871252, 0.008471326347245439, 0.005684396257049382]]}, "mtime": 24.891395442442203, "numbers": {"__ndarray__": [[2], "int64", [33, 33]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[2, 3], "float64", [2.1066600001409506, 1.053330000068696, 0.710149999999305, 7.196020000063726, 3.598000000036542, 2.42577000013533]]}, "stress": {"__ndarray__": [[6], "float64", [0.0005115188247978846, -0.0009775550450857068, -0.001249015590974266, 0.0003349864448705302, 0.0006691160443974943, 0.000993730877678621]]}, "unique_id": "476306a33f8047080d8cceda7e48e379", "user": "cmr"}, "ids": [1], "nextid": 2}