{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.895808, 0.0, 0.0, 1.947904, 6.397907, 0.0, 0.0, 0.0, 7.984304]]}, "__ase_objtype__": "cell"}, "ctime": 24.990599913978606, "dipole": {"__ndarray__": [[3], "float64", [-2.954627854098813e-05, 1.4185396435489491e-05, -4.4013583120282746e-05]]}, "energy": -39.309890059948295, "forces": {"__ndarray__": [[10, 3], "float64", [-6.175852879206537e-05, 0.043224931891642185, -4.635385196328649e-05, -0.0015441348537367262, -0.01147427893470866, -2.3730144509575525e-05, -6.181150169792993e-05, 0.04322177873055359, 7.26914408427657e-05, 6.251080707304235e-05, -0.04322652830918872, -8.846633059928395e-05, 0.0015486468280856325, 0.011476759645103559, -1.09250536711452e-05, 6.258674417422398e-05, -0.04322733920257385, 0.00010275281372355606, -3.4298255056336754e-06, 3.301210945715376e-06, 6.947576119500711e-06, 0.006721982607616616, -0.02311767316720251, -2.7220000715409103e-05, -3.370523075362648e-06, 9.550153101974398e-06, 2.3053467478007386e-05, -0.006721220025975831, 0.023110076573451325, -8.800054847527508e-06]]}, "mtime": 24.990599913978606, "numbers": {"__ndarray__": [[10], "int64", [46, 46, 46, 46, 46, 46, 52, 52, 52, 52]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[10, 3], "float64", [1.9478999999791362, 2.076180000220378, 0.531639999778864, 3.895810000107827, 5.961759999719622, 1.996080000136304, 1.9478999999791362, 2.076180000220378, 3.460510000152984, 3.895810000107827, 4.321729999758214, 4.523800000051471, 1.947899999979136, 0.4361500002589705, 5.988230000068151, 3.895810000107827, 4.321729999758214, 7.4526600000848315, 0.0, 0.0, 0.0, 3.895810000107827, 3.2985000001337026, 1.996080000136304, 0.0, 0.0, 3.992149999931848, 1.947899999979136, 3.099409999844889, 5.988230000068151]]}, "stress": {"__ndarray__": [[6], "float64", [-0.007341867126398981, -0.00663818121511068, -0.006988753186038707, -1.0859144545490678e-08, 2.551809111299394e-10, 7.433740863789207e-05]]}, "unique_id": "ecb582f417723cc3aa164f6013b13a2c", "user": "cmr"}, "ids": [1], "nextid": 2}