{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.326664, -3.473875, 0.0, -3.326664, -3.473875, 0.0, 0.0, 0.0, -6.427611]]}, "__ase_objtype__": "cell"}, "ctime": 24.891375600400366, "dipole": {"__ndarray__": [[3], "float64", [-2.1720649132117882e-11, 1.9817471732045608e-10, 2.0657187810840558e-05]]}, "energy": -34.05316747244331, "forces": {"__ndarray__": [[8, 3], "float64", [1.441077819603177e-05, 0.025467537797200023, -5.974268860604457e-06, -1.441077819603177e-05, 0.025467537797200023, -5.974268860604457e-06, 1.4411487500633001e-05, -0.02546753779706312, 5.975799753225254e-06, -1.4411487500633001e-05, -0.02546753779706312, 5.975799753225254e-06, 0.0, -0.10492680747401527, -0.004239805355362662, 0.0, -0.10499155571031002, 0.004241051687749076, 0.0, 0.10499155610833552, -0.004241052751516344, 0.0, 0.10492680707513626, 0.004239804295824333]]}, "mtime": 24.891375600400366, "numbers": {"__ndarray__": [[8], "int64", [19, 19, 19, 19, 8, 8, 8, 8]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[8, 3], "float64", [1.6633300000096032, -4.5846799999513, -1.606900000268014, -1.6633300000096032, -4.5846799999513, -1.606900000268014, 1.6633300000096032, -2.3630700000487, -4.820710000238475, -1.6633300000096032, -2.3630700000487, -4.820710000238475, -7.329940887728412e-17, -6.328729999862725, -0.4376299998799278, -8.531463945788005e-17, -2.8548500002618247, -2.776180000090533, 8.531463945788005e-17, -4.092899999738175, -3.6514299997731947, 2.713267177738885e-17, -0.6190200001372751, -5.9899799999838]]}, "stress": {"__ndarray__": [[6], "float64", [-0.015384180956196947, -0.009974170499181588, -0.013287409230460082, -6.405738323435035e-09, 0.0, 0.0]]}, "unique_id": "fe4cde0c028714f5c58a70f6bcb80de1", "user": "cmr"}, "ids": [1], "nextid": 2}