{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [19.495880759679295, 0.0, 0.0, 0.0, 19.892853390846533, 0.0, 0.0, 0.0, 5.726473683479422]]}, "__ase_objtype__": "cell"}, "ctime": 24.83508640880527, "dipole": {"__ndarray__": [[3], "float64", [-1.6914618483858287e-08, 3.548398081740753e-08, -4.83114755738122e-10]]}, "energy": -335.54880842967464, "forces": {"__ndarray__": [[8, 3], "float64", [0.0022381690883294175, 0.002691235295335366, 2.490614557556317e-09, 0.005359346022421395, -0.004204096595390967, -2.843193124205854e-09, 0.000483536620621447, -0.0016492127073212913, 2.203666110175917e-09, -0.0053615795003356765, 0.00420473175461718, 2.861947891709555e-09, 5.007766245584189e-07, 6.720345073017927e-08, -6.85063149930781e-07, -0.002238245895145889, -0.002691541457416011, -2.4944435713153312e-09, -0.00048273920820115146, 0.0016479971218112343, -2.207617233668815e-09, 5.00770259817829e-07, 6.721033406194354e-08, 6.850694455477303e-07]]}, "free_energy": -335.56318569676944, "initial_magmoms": {"__ndarray__": [[8], "float64", [0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, -1.0]]}, "magmom": 1.7814265690961064e-09, "magmoms": {"__ndarray__": [[8], "float64", [1.2728909034848379e-11, 1.2431959895950838e-11, 1.2779541692526585e-11, 1.24270464291626e-11, 0.3887041898216943, 1.2728587501605289e-11, 1.277319898621116e-11, -0.3887041883633308]]}, "mtime": 24.83508640880527, "numbers": {"__ndarray__": [[8], "int64", [17, 17, 17, 17, 22, 17, 17, 22]]}, "pbc": {"__ndarray__": [[3], "bool", [false, false, true]]}, "positions": {"__ndarray__": [[8, 3], "float64", [8.115390051503486, 8.859048354327493, 2.8632368417396457, 7.990208341948841, 10.816947478579932, 3.6768572828208734e-14, 9.622616561104733, 11.904165178296175, 2.863236841739663, 11.505672480807132, 9.075905864712908, 2.86323684173959, 9.747940389650376, 9.94642668687332, 4.294855231102108, 11.38049072558634, 11.033805007897781, -4.784933447545396e-15, 9.873264217218392, 7.9886881894838995, 9.803924276493699e-14, 9.747940389650408, 9.946426686873219, 1.4316184523773603]]}, "unique_id": "2dd33db089af598631922d4c4223d31d", "user": "cmr"}, "ids": [1], "nextid": 2}