{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [15.705695801486414, 0.0, 0.0, 5.235231933828804, 14.458873521940099, 0.0, 0.0, 0.0, 21.341805962036666]]}, "__ase_objtype__": "cell"}, "ctime": 24.54932894635272, "dipole": {"__ndarray__": [[3], "float64", [14.218630385750416, 0.12474885912075087, 0.19695439372772927]]}, "energy": -275.39195968802323, "forces": {"__ndarray__": [[72, 3], "float64", [-8.09e-06, -4.3e-07, 0.00425554, -0.00015641, 0.00108434, 3.382e-05, -0.00206228, -0.00691405, -0.00081038, 0.00829351, 0.00014172, 0.0010532, -0.00305222, -0.00451527, 0.00280991, -0.00121676, 0.00082475, -0.00033594, 0.00225778, -0.00071183, -0.00494263, -0.00153795, 0.00196194, -0.00249648, -0.00143916, 0.00066148, 0.00089772, -0.00819557, -0.00028541, 0.00128661, 0.00265657, 0.00080454, 1.22e-06, 0.00112694, -0.00090278, -0.00039926, 0.00089716, -0.00108197, -0.0057604, -0.00281028, -0.00174314, -0.00595911, 0.00092285, -0.00041806, -0.00099419, 0.00376679, 0.00121732, 0.00079644, 0.00083011, 0.00165598, -0.00267677, -0.00034895, 0.00079597, -9.395e-05, 0.00076919, 0.00253517, 0.00373165, 0.00283777, 0.00152706, -0.005931, 0.00055218, -0.00259463, 0.00153334, -0.00016324, 3.342e-05, -0.00134051, 0.00124037, -0.00038041, 0.00024833, 3.16e-06, 5.056e-05, -0.00257329, 0.0019191, 0.00215388, 0.00280378, 0.00158135, -0.00199791, -0.00244388, 0.00217058, 0.00688666, -0.00076572, -0.00393187, -0.00112861, 0.00051519, 0.00304541, 0.00424833, 0.00320325, 0.00036233, -0.00070779, 0.00010288, -0.00240257, 0.00066458, -0.004986, -0.00069994, -0.00247799, 0.00043562, 0.00013844, 0.00040052, 0.004529, 0.00010671, -0.00013908, -0.00125596, -0.00244344, 0.00546352, 0.00125813, 3.038e-05, 2.27e-05, 0.00412272, 0.00069284, 0.00059221, -0.00023761, 0.00035341, 0.00262121, -0.00185712, -0.00151024, -0.00091457, 0.00208746, -0.00057358, 0.00349342, -0.0003501, 0.00033713, 0.00251019, -0.00098759, -0.00193738, 0.00099751, 0.00175882, -9.956e-05, 2.034e-05, 0.00249598, -0.00193206, 0.00210633, 0.00065038, 0.00136452, 0.00095414, 0.00194951, 0.00220442, -0.00184159, -7.924e-05, -0.00040512, -0.00255696, -0.00114443, -0.00277407, -0.00092546, -0.00067344, -0.00060623, -0.00047517, 9.904e-05, 0.00028861, -0.00082999, -5.14e-05, -0.00023723, -0.00058806, 0.00434731, 0.00550432, -0.00330623, -2.851e-05, 0.00241823, -0.00546561, 0.00122259, -0.0015319, 0.0014046, 0.00030631, -0.0019152, -0.00178107, 0.00332609, 0.00189831, -0.00202216, 0.00063795, -0.00059307, 0.00236437, 0.00148433, -0.00547528, 0.00319213, 6.19e-06, -0.00124989, 0.0004992, 0.00031292, 0.00150511, -0.00135496, 0.00024132, -0.00069944, -0.00214927, 0.00379678, -0.00031643, -0.00240753, -0.0019124, -0.00095635, 0.0001397, -0.00116356, -0.00204039, 0.00166749, 3.508e-05, -0.00069704, -0.00171717, -0.00259615, 0.00284658, 0.00081997, -0.00082517, -0.00098113, 0.00085466, -0.00572506, 0.00063972, 0.00228433, 0.00017753, 0.00146858, -0.00037408, 0.00094733, 0.00061528, -0.00329463, -2.471e-05, -0.00262152, -0.00067174, -6.396e-05, 0.00197609, -0.00098071, 0.00168514]]}, "initial_magmoms": {"__ndarray__": [[72], "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, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 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": 9.057528250852368e-14, "magmoms": {"__ndarray__": [[72], "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, 0.0, 0.0, -0.0, 0.0, -0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 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": 24.54932894635272, "numbers": {"__ndarray__": [[72], "int64", [34, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35, 13, 13, 34, 34, 35, 35]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[72, 3], "float64", [2.61767796, -0.00014342, 9.65634125, 15.60750668, 1.78585735, 11.6170329, 2.61838686, 1.8084061, 11.28167193, -0.24368282, -0.00208158, 9.86842127, 2.61705521, 2.1254386, 7.60791697, 0.07239845, -0.01107452, 13.41603196, 7.958709, -0.00479061, 9.74626028, 5.33443475, 1.79965065, 11.61305049, 7.89740629, 1.84575009, 11.50942494, 5.47901948, 0.00184685, 9.86838976, 8.00824192, 1.7984344, 7.92255834, 5.16300189, 0.01083899, 13.41603339, 7.8882779, 3.60470062, 9.68910495, 5.23398805, 5.42033547, 11.63690577, 7.84470775, 5.44468909, 11.43363854, 5.2755874, 3.61834917, 9.87794055, 7.91175716, 5.36550847, 7.87244602, 5.15615776, 3.59260455, 13.42557077, 7.86246435, 7.19676351, 9.63302954, 5.23659005, 9.03830935, 11.63691168, 7.84910588, 9.10335671, 11.32141115, 5.23531879, 7.22931666, 9.88936143, 7.87661765, 8.88201697, 7.78703469, 5.23528322, 7.22929797, 13.44083729, 7.85277537, 10.79919453, 9.44865465, 5.13612135, 12.6589839, 11.61306059, 7.85218862, 12.65021607, 11.28168728, 5.19502629, 10.84027311, 9.87797442, 7.85353488, 12.33316943, 7.60790921, 5.31440975, 10.86600328, 13.42555983, 12.9823466, 0.0045459, 9.74630276, 10.47187437, 1.85139697, 11.84925936, 13.04439401, 1.84253371, 11.51275933, 10.47052282, -9.781e-05, 10.11690027, 12.93999841, 1.8287667, 7.92646074, 10.47051392, -0.00012098, 13.6248597, 13.0564309, 3.62070809, 9.69989168, 10.47052314, 5.45446649, 11.75595652, 13.09411479, 5.42842778, 11.46621952, 10.47283935, 3.62329842, 10.04416114, 13.05273151, 5.4304371, 7.90379049, 10.46149377, 3.68080433, 13.60578719, 13.08817235, 7.2293024, 9.69598143, 10.4666644, 9.0614905, 11.66768776, 13.0821969, 9.03018775, 11.46622279, 10.47867431, 7.22118071, 9.96074257, 13.12359419, 9.02819105, 7.90380322, 10.42107522, 7.28836657, 13.50997339, 13.11986273, 10.83790351, 9.69984761, 10.56876157, 12.67275444, 11.61703731, 13.13189323, 12.61611866, 11.51273803, 10.51071807, 10.84171723, 9.89237402, 13.23631403, 12.62986, 7.9264382, 10.37781815, 10.89608284, 13.44097364, 2.61782207, 3.65937892, 9.44859059, 15.70965145, 5.39712842, 11.66770294, 2.62150121, 5.35528237, 11.32136736, 15.6655729, 3.61692526, 9.89237703, 2.59399431, 5.5765653, 7.78698377, 15.79851743, 3.56253349, 13.44098434, 2.60812333, 7.26181316, 9.63298786, 15.70576393, 9.00414812, 11.75596973, 18.33158496, 9.01395491, 11.43361525, 15.69761375, 7.23745558, 9.96074075, 18.26446858, 9.09310427, 7.87241926, 15.75518326, 7.17027844, 13.51000597, 18.2880103, 10.85393596, 9.68907618, 15.70438841, 12.60725965, 11.84928344, 18.27885984, 12.61282414, 11.5094309, 15.70344292, 10.83531429, 10.0441403, 18.16803915, 12.66017391, 7.92257552, 15.71475076, 10.7778271, 13.60579912]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0023626177379804953, -0.0008675348661625073, -7.489057588047494e-06, 3.6568838099658677e-08, -1.1323424995121987e-08, -1.894623905797171e-06]]}, "unique_id": "f757c0f0937074ea5d0960d0dc09c949", "user": "cmr"}, "ids": [1], "nextid": 2}