{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [15.8300935633327, 0.0, 0.0, 0.0, 16.520491127675747, 0.0, 0.0, 0.0, 18.169744886120114]]}, "__ase_objtype__": "cell"}, "ctime": 24.549496279978896, "dipole": {"__ndarray__": [[3], "float64", [-38.1324284931529, 2.276662724679486, 0.03336549693207601]]}, "energy": -149.51824843163445, "forces": {"__ndarray__": [[48, 3], "float64", [0.00239084, -0.00503087, -0.00241143, -0.00358567, 0.00099329, -0.00186939, -0.00288842, 0.00255118, 0.00224021, 0.00069018, -0.00089793, 0.00372684, 0.00085521, 0.00257281, 0.00048242, -0.00061296, 0.00259196, 0.00199937, -0.00022748, 0.00381399, -0.00341592, 0.00128777, 0.00567097, 0.00290363, 0.00221272, 0.00179496, -0.00361847, -0.00247166, -0.00117967, 0.00145052, -0.00194431, -0.00112745, 0.00257738, -0.00027579, 0.00139376, 0.00034634, -0.00291825, 0.00158986, -0.00018156, 0.00454104, -0.00097159, -0.000276, -0.00613051, -0.00295441, 0.00111794, 0.00202709, -0.00021698, 0.00035547, 0.00065586, -0.00183836, 0.00020696, -0.00176648, -0.00457236, 0.00035155, -0.00222769, 0.00328743, -0.00064465, -0.00023596, -0.00615506, -0.00440321, -8.271e-05, 0.00222702, -0.00025165, 0.00689151, -0.00057604, -0.0022822, 0.0016055, -0.0001035, -0.00125014, -0.00179835, 0.00364653, 0.00248178, -0.00070467, 0.00423355, 0.00063785, 0.00096001, -0.00163777, 0.00104887, 0.00533747, 0.00168551, -0.00225801, 0.00282035, -0.00147771, 0.00654254, -0.00026151, 0.00158821, -0.00078177, -0.00101556, -0.00416644, -0.00049052, -0.00359144, -0.00059522, 0.00401654, 0.00250707, -0.00038183, 0.00320512, -0.00083014, 0.0038162, 0.00423552, 0.00332095, 0.00265773, -0.00387503, 0.00013051, -0.0065312, 0.00242801, -0.0009908, 8.175e-05, -0.00124067, 0.00400538, -0.00291925, 5.6e-05, -0.00019422, 1.265e-05, -0.00539325, -0.00187051, 0.00024445, -0.00090852, -0.00344203, -0.00071856, -0.00012121, -0.00323554, 0.00145711, 0.00500906, 0.0006299, -0.00059673, -0.00176538, 0.00228203, -0.00087869, 0.00264175, 0.00020061, -0.00038854, 0.00790658, -0.00423449, 0.0010612, -0.00645991, 0.00418191, -0.00096863, -0.00806067, -0.00184328, 0.00163887, -0.00464047, 2.614e-05, -0.00368769, -0.00130227]]}, "initial_magmoms": {"__ndarray__": [[48], "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, 0.0]]}, "magmom": 7.105427357601002e-14, "magmoms": {"__ndarray__": [[48], "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, -0.0]]}, "mtime": 24.549496279978896, "numbers": {"__ndarray__": [[48], "int64", [17, 17, 34, 34, 34, 34, 47, 34, 17, 17, 34, 34, 34, 34, 47, 47, 17, 17, 34, 34, 34, 34, 47, 47, 17, 17, 34, 34, 34, 34, 47, 47, 17, 17, 34, 34, 34, 34, 47, 47, 17, 17, 34, 34, 34, 34, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[48, 3], "float64", [5.38469514, 8.22572791, 7.69954384, 3.04954046, -0.28545289, 10.90507187, 3.62432216, 4.84340272, 7.94081491, 0.76402016, 3.62860035, 9.8238655, 4.94680991, 4.85908582, 10.03967327, 2.29608403, 2.88709017, 8.05708875, 4.11058211, 1.20416922, 9.14338583, 2.4304877, 6.79428927, 9.25351861, 4.97354554, 16.12591626, 7.35369996, 2.03914163, 8.74033741, 10.73401761, 3.17987619, 13.50733198, 8.1681722, 0.46141428, 11.46173669, 10.09542574, 4.77539785, 13.48047079, 10.14636599, 2.15396, 11.45934262, 8.1802106, 3.94346865, 9.70533073, 9.07740422, 1.37650137, 15.22562465, 9.28799496, 9.99965254, 7.95692478, 7.63405707, 7.83196751, 0.20912017, 10.61073673, 8.55448834, 5.2228805, 8.25008942, 6.06684332, 2.81304567, 10.05740485, 10.31091728, 5.11770374, 10.09462552, 7.68549155, 3.09255132, 8.16203634, 9.55279422, 1.3585196, 9.06022166, 6.68878935, 6.77463319, 9.39250219, 10.1961355, 16.15043222, 7.34890556, 7.63957643, 8.48115029, 10.97423793, 8.38684043, 13.42730132, 8.17998126, 5.73650491, 11.3948741, 10.16822436, 10.02601423, 13.45034449, 10.11249046, 7.40429039, 11.35343803, 8.26159294, 9.20441108, 9.64231278, 9.33844511, 6.59412384, 15.17606256, 9.05949401, 15.24345749, 8.04815049, 7.50431303, 13.20322738, 0.31758132, 10.42677664, 13.52797069, 5.32580412, 7.60137241, 11.30478751, 3.05965375, 9.99506192, 16.01070434, 5.77419968, 8.88260881, 12.78084573, 3.17969613, 7.89559816, 14.75356633, 1.8405108, 9.07746546, 11.99362867, 6.90893617, 8.92695858, 16.32905881, 16.91941134, 7.62896712, 12.65193321, 8.70815229, 10.59115732, 13.6135564, 13.53648158, 8.17568984, 11.02474064, 11.37064863, 10.14265448, 15.3456202, 13.56484568, 10.07082967, 12.69719364, 11.45977162, 8.20173345, 14.55471587, 9.73970085, 9.2008108, 11.77478396, 15.23169111, 9.11141327]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00019544166208296932, 0.00016162730687820884, -4.1076518709194925e-05, 8.879011574718886e-07, 5.2707729181575505e-06, 0.00044331778697365376]]}, "tags": {"__ndarray__": [[48], "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, 0]]}, "unique_id": "4c0e1f14f186cb618150edc449ef2ed1", "user": "cmr"}, "ids": [1], "nextid": 2}