{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [2.287869, -3.962706, 0.0, -4.575738, 0.0, 0.0, 2.287869, -1.320902, -3.979905]]}, "__ase_objtype__": "cell"}, "ctime": 24.891381593199334, "dipole": {"__ndarray__": [[3], "float64", [9.496314730154014e-06, -2.1175530475065824e-05, 2.270984916432264e-05]]}, "energy": -9.348364779010124, "forces": {"__ndarray__": [[2, 3], "float64", [0.0007845392959050384, -0.00046329049836738983, -0.0462070690809333, -0.0007845392575792641, 0.0004632902658219514, 0.046207069365376545]]}, "mtime": 24.891381593199334, "numbers": {"__ndarray__": [[2], "int64", [83, 83]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[2, 3], "float64", [-2.2878699997987533, -1.320900000154372, -1.1695600000824644, 2.2878699997987533, -3.962709999955436, -2.810339999962884]]}, "stress": {"__ndarray__": [[6], "float64", [-0.002456627068525576, -0.0024927601581711616, -0.0029269821022856117, 7.359591099693144e-05, -0.00012680360113910698, -3.1642557313434706e-05]]}, "unique_id": "fd0ba41932063a649927f0eab36b0577", "user": "cmr"}, "ids": [1], "nextid": 2}