{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.873182278950046, -0.08488098850856378, 0.0, -3.5101002375863546, 6.080023697547828, 0.0, -4.179344256268935e-16, 0.0, 33.19]]}, "__ase_objtype__": "cell"}, "ctime": 24.891388891696042, "dipole": {"__ndarray__": [[3], "float64", [1.4804732816869038e-13, -3.275051386673384e-13, -1.0612479143568558e-13]]}, "energy": -78.87010418782818, "forces": {"__ndarray__": [[12, 3], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0025681378571822504, 0.001943644099894975, -0.0025691706976629, 0.0076185721995310415, 0.004962419006257345, 0.001151545606388805, 0.002568134966338608, 0.0019436418847621172, -0.0025691680196109215, 0.0076185734372904304, 0.004962417697655925, 0.0011515457978842401, -0.0076185734372904304, -0.004962417697655925, -0.0011515457978842401, -0.002568134966338608, -0.0019436418847621172, 0.0025691680196109215, -0.0076185721995310415, -0.004962419006257345, -0.001151545606388805, -0.0025681378571822504, -0.001943644099894975, 0.0025691706976629]]}, "free_energy": -78.88774955555337, "initial_magmoms": {"__ndarray__": [[12], "float64", [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0]]}, "magmom": 4.2287032404075635, "magmoms": {"__ndarray__": [[12], "float64", [2.388586451895108, 0.03300212659210515, 2.3885864520217126, 0.03300212661933417, -0.09444172102442878, -0.0605221966929494, -0.09444172098304816, -0.06052219668687505, -0.06052219668687505, -0.09444172098304816, -0.0605221966929494, -0.09444172102442878]]}, "mtime": 24.891388891696042, "numbers": {"__ndarray__": [[12], "int64", [24, 72, 24, 72, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [-0.07350909811133123, 6.037583203293548, 16.595, 3.363082041363694, 5.995142709039271, 16.595, 1.6815410206818469, 2.997571354519635, 16.595, 5.118132160156867, 2.95513086026535, 16.595, 1.8162415576638868, 1.0484559444173709, 17.989210330355586, 5.074787983994807, 0.9033521428178785, 18.077224188021997, 0.06119143927376797, 4.088467793521581, 17.989210329849822, 3.319737865077562, 3.943363991639905, 18.07722418798742, 0.04334417628613186, 2.0517787173993622, 15.112775812012577, 3.3018906020899284, 1.906674915517684, 15.20078967015016, -1.7117059426311134, 5.091790566221383, 15.112775811977992, 1.546840483699807, 4.946686764621898, 15.200789669644399]]}, "stress": {"__ndarray__": [[6], "float64", [9.192291635730132e-06, 4.635667397682651e-05, 8.722002704416339e-05, -3.632128953629635e-05, -4.201805545156152e-05, -1.897023173248135e-05]]}, "tags": {"__ndarray__": [[12], "int64", [2, 1, 2, 1, 0, 0, 0, 0, 0, 0, 0, 0]]}, "unique_id": "20710b15df031ff30899f0ebba6f9cc0", "user": "cmr"}, "ids": [1], "nextid": 2}