{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [15.835022201402165, 0.0, 0.0, 0.0, 16.489663300143434, 0.0, 0.0, 0.0, 18.169744886120114]]}, "__ase_objtype__": "cell"}, "ctime": 24.89111374388424, "dipole": {"__ndarray__": [[3], "float64", [-17.8614242966266, 50.91979729314301, 0.010011541423646988]]}, "energy": -141.68221336927348, "forces": {"__ndarray__": [[47, 3], "float64", [0.00187564, -0.00071153, -0.0021374, -0.00043876, 0.00413031, 0.00197, -0.00089161, -0.00452442, 0.00102422, -0.00035378, 0.00873168, -0.0023072, -6.05e-05, -0.00031516, -0.0029352, 0.00138134, 0.00705003, 0.00171456, 0.00167119, 0.00161223, -0.00353743, 0.00069339, -0.00150794, 0.00114661, 0.00105126, 0.00199578, -0.00355455, -0.00178273, 0.00216196, -0.00208198, 0.00176118, -0.00063957, -0.00217073, -0.00022238, 0.00149418, 0.00071793, 0.00084782, 0.00178495, -0.00206034, 7.824e-05, -0.00012426, 0.00109188, -0.00196582, 0.00087759, 0.00077425, 0.00109015, 0.00107725, -5.125e-05, -0.00346435, -0.00190554, 0.00277715, 0.00169815, -0.00210993, 0.00111755, 0.00112278, -0.00035101, -0.00173529, -0.00219931, -0.00236693, 0.00164754, -0.00252815, -0.00301084, -0.00201817, -0.00101385, 0.00068745, -0.00311544, 0.00016511, -0.00104326, 0.00210727, 0.00426411, -0.00049824, 0.00180976, -0.00187321, -2.562e-05, -0.00140173, 0.00213485, -0.00233669, -0.00259609, -0.00433293, 0.00179326, -0.0016281, -0.00482731, 0.0046353, 0.00170766, 0.00227251, 0.00064535, 0.00072391, 0.00245524, -0.00101021, 0.00509411, 0.00145021, -0.00318446, -0.00056826, -0.0015295, -0.00096016, -0.00030836, -0.00269669, -0.00281572, 0.00303847, 0.00112469, 0.00244022, 0.00195537, -0.00141927, -0.00110287, -0.00170665, 0.00482976, -0.00365453, -0.0032932, 0.00196706, 0.00349528, 0.00312675, -4.22e-06, -0.0010178, -0.00139808, 0.00123825, -0.00280255, 0.00045335, 0.00094594, -0.00177532, 0.00458964, -0.00252944, 0.00138408, -0.00043543, -0.00300889, -0.00179887, 0.0003011, 7.375e-05, -0.00127982, 3.916e-05, 0.0011908, 0.00021349, -0.00157086, 0.00241368, 0.00103123, 0.00083208, -0.00204905, -0.0029746, 0.00125359, -0.00076228, -0.00133341, 0.00189051]]}, "initial_magmoms": {"__ndarray__": [[47], "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, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 2.0359124281852072e-13, "magmoms": {"__ndarray__": [[47], "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, -0.0, 0.0, -0.0, -0.0, -0.0, 0.0, 0.0, -0.0, 0.0, -0.0, 0.0, -0.0, -0.0, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.0, -0.0, 0.0, -0.0, 0.0, 0.0, 0.0, -0.0, 0.0, -0.0, 0.0, -0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.89111374388424, "numbers": {"__ndarray__": [[47], "int64", [35, 35, 34, 34, 34, 34, 47, 35, 35, 34, 34, 34, 34, 47, 47, 35, 35, 34, 34, 34, 34, 47, 47, 35, 35, 34, 34, 34, 34, 47, 47, 35, 35, 34, 34, 34, 34, 47, 47, 35, 35, 34, 34, 34, 34, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[47, 3], "float64", [-0.40551339, -0.35388575, 7.14648237, 3.22336443, 7.82747058, 10.9219648, 2.71973879, 5.32054763, 8.71600283, 0.38317288, 2.73254425, 10.12910974, 4.66760589, 5.26932131, 10.32145671, 2.10599621, 3.18128919, 8.2767205, 3.96806983, 1.41474795, 9.10585242, 0.41642771, 8.38014212, 7.48951127, 2.51146058, 16.32343433, 10.64910099, 3.0036201, 13.12242707, 7.94516041, 0.37943882, 11.11822549, 9.93393825, 4.66310933, 13.28188051, 9.824109, 2.00129633, 10.99869625, 7.99764122, 3.87614497, 9.39064904, 8.95734203, 1.23943149, 14.90865503, 8.80030834, 5.42019263, 0.18280938, 7.24566598, 8.18939554, 7.96082809, 10.8909911, 8.30026185, 5.11828916, 8.19001251, 5.67553913, 3.14953632, 10.17564953, 9.96725986, 5.15253341, 10.07962996, 7.25073652, 3.06576728, 8.22146352, 9.03370329, 1.31458807, 9.15640894, 6.44068343, 6.89187975, 9.1649782, 5.65461656, 8.45494503, 7.18024745, 8.01407838, 16.10540083, 10.88338228, 8.38155753, 13.26910589, 8.03243324, 5.71318382, 11.24190153, 9.88487219, 9.99176061, 13.28989471, 9.95449487, 7.36365959, 11.18503248, 7.97994146, 9.16400957, 9.46600093, 8.94236328, 6.52945813, 15.01855085, 8.95737935, 10.71819536, 0.18883234, 7.39277308, 12.80609114, 8.40263786, 10.99826773, 13.71388181, 4.93768305, 8.33090861, 10.91213287, 3.04791297, 10.0912982, 15.2029669, 4.77839437, 10.28262788, 12.53803263, 2.91757347, 8.19540368, 14.3373431, 1.12517708, 9.0703146, 11.95167162, 6.77895902, 9.06028857, 10.66903619, 8.15472739, 7.18835349, 13.41026902, 16.01725136, 10.9848736, 13.63408159, 13.20131092, 8.0425562, 10.98578531, 11.20091055, 9.98580273, 15.27926386, 13.20336504, 9.97485579, 12.61559475, 11.14012795, 8.08271356, 14.38851835, 9.12618532, 9.0810148, 11.87060383, 14.99761173, 9.07739359]]}, "stress": {"__ndarray__": [[6], "float64", [0.0003834219919617579, 0.0004295201173786711, -3.9951775641672185e-05, -2.503596828298861e-06, 8.634795238848404e-06, -0.00015795091233006183]]}, "tags": {"__ndarray__": [[47], "int32", [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, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]]}, "unique_id": "3e70c952f6890b0605b664ecc7d5a685", "user": "cmr"}, "ids": [1], "nextid": 2}