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{
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{
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"structure_string": "Zn2 H12 C4 N8 O8\n1.0\n6.193585 0.000000 -2.295582\n0.000000 5.037858 0.000000\n0.247348 0.000000 9.027577\nZn H C N O\n2 12 4 8 8\ndirect\n0.012890 0.779398 0.746237 Zn\n0.012890 0.220602 0.246237 Zn\n0.511509 0.937530 0.089633 H\n0.511509 0.062470 0.589633 H\n0.386012 0.004713 0.794347 H\n0.386012 0.995287 0.294347 H\n0.249122 0.174481 0.892610 H\n0.249122 0.825519 0.392610 H\n0.617534 0.579830 0.348241 H\n0.617534 0.420170 0.848241 H\n0.880065 0.353035 0.565044 H\n0.880065 0.646965 0.065044 H\n0.685460 0.482251 0.627717 H\n0.685460 0.517750 0.127717 H\n0.826075 0.103119 0.924853 C\n0.826075 0.896881 0.424853 C\n0.313351 0.606433 0.029513 C\n0.313351 0.393568 0.529514 C\n0.809310 0.526057 0.585647 N\n0.399846 0.841960 -0.000356 N\n0.399846 0.158041 0.499645 N\n0.290215 -0.012223 0.863430 N\n0.290215 0.012223 0.363429 N\n0.723315 0.670893 0.444451 N\n0.723315 0.329107 0.944451 N\n0.809310 0.473943 0.085647 N\n0.972725 0.003775 0.041010 O\n0.972725 0.996225 0.541010 O\n0.407343 0.511164 0.657736 O\n0.764718 0.004806 0.287974 O\n0.149106 0.488329 0.421918 O\n0.149106 0.511671 0.921918 O\n0.407343 0.488836 0.157735 O\n0.764718 -0.004806 0.787974 O\n",
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{
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"structure_string": "Ba4 Zn2 Ge4 S12 O2\n1.0\n6.473506 0.000000 0.000000\n0.000000 9.688328 0.000000\n0.000000 0.000000 9.688328\nBa Zn Ge S O\n4 2 4 12 2\ndirect\n0.500110 0.158927 0.658927 Ba\n0.499890 0.341073 0.158927 Ba\n0.500110 0.841073 0.341073 Ba\n0.499890 0.658927 0.841073 Ba\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.069589 0.873698 0.626302 Ge\n0.069589 0.126302 0.373698 Ge\n0.930412 0.373698 0.873698 Ge\n0.930412 0.626302 0.126302 Ge\n0.265377 0.634862 0.134862 S\n0.734624 0.134862 0.365138 S\n0.734624 0.865139 0.634862 S\n0.230026 0.322582 0.437131 S\n0.769975 0.437131 0.677419 S\n0.769975 0.562869 0.322582 S\n0.230026 0.677419 0.562869 S\n0.769975 0.822582 0.062869 S\n0.769975 0.177419 0.937131 S\n0.230026 0.062869 0.177419 S\n0.230026 0.937131 0.822582 S\n0.265377 0.365138 0.865139 S\n0.183167 0.000000 0.500000 O\n0.816833 0.500000 0.000000 O\n",
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{
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"structure_string": "Fe1 Hg1 C4 S4 N4\n1.0\n4.077282 0.000000 1.099743\n2.038641 7.934169 0.549871\n-0.027558 0.000000 8.210280\nFe Hg C S N\n1 1 4 4 4\ndirect\n0.749999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Hg\n0.209201 0.191584 0.640659 C\n0.150139 0.640659 0.808416 C\n0.599214 0.359341 0.191584 C\n0.041444 0.808416 0.359341 C\n0.440349 0.024903 0.710498 S\n0.849151 0.710499 0.975096 S\n0.534747 0.289501 0.024903 S\n0.175751 0.975097 0.289501 S\n0.043738 0.311444 0.587634 N\n0.368628 0.587634 0.688555 N\n0.644817 0.412366 0.311444 N\n0.942816 0.688556 0.412366 N\n",
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{
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"created_at": "2022-09-04T14:36:16.680649Z",
"updated_at": "2022-09-04T14:36:16.680659Z",
"structure_string": "Li4 Ti3 V3 Te2 O16\n1.0\n5.898339 -0.001237 0.002342\n-2.948152 5.164796 0.016094\n-0.004259 0.020967 10.218654\nLi Ti V Te O\n4 3 3 2 16\ndirect\n0.334506 0.669027 0.098114 Li\n0.999443 0.998885 0.011720 Li\n-0.000401 -0.000767 0.507093 Li\n0.663396 0.326827 0.602181 Li\n0.162821 0.816685 0.779360 Ti\n0.653851 0.816691 0.779361 Ti\n0.824896 0.649817 0.273698 Ti\n0.352902 0.173150 0.283272 V\n0.820218 0.173150 0.283275 V\n0.174564 0.349141 0.787949 V\n0.330104 0.660239 0.492207 Te\n0.660263 0.320529 -0.000629 Te\n0.846971 0.693959 0.896959 O\n0.316970 0.154830 0.901457 O\n0.672078 0.344184 0.396058 O\n0.981852 0.497806 0.170346 O\n0.515931 0.497794 0.170335 O\n0.158476 0.316980 0.396387 O\n0.498142 0.512550 0.675251 O\n0.486210 0.972435 0.675136 O\n0.675663 0.839006 0.397770 O\n0.000452 0.000941 0.193813 O\n0.000706 0.001423 0.689833 O\n0.339304 0.678625 0.895261 O\n0.514846 0.029724 0.161453 O\n0.163308 0.839013 0.397774 O\n0.014381 0.512544 0.675254 O\n0.837854 0.154826 0.901458 O\n",
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{
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"updated_at": "2022-09-04T14:36:35.589610Z",
"structure_string": "As4 Pb8 S12 I2 Cl2\n1.0\n6.723105 0.000000 0.000000\n0.000000 9.505021 0.000000\n0.000000 0.000000 11.668810\nAs Pb S I Cl\n4 8 12 2 2\ndirect\n0.500000 0.951416 0.172848 As\n0.000000 0.451416 0.827152 As\n0.500000 0.521620 0.671820 As\n0.000000 0.021620 0.328180 As\n0.500000 0.177987 0.874240 Pb\n0.000000 0.272787 0.570737 Pb\n0.500000 0.717167 0.915363 Pb\n0.000000 0.791781 0.624607 Pb\n0.500000 0.772787 0.429263 Pb\n0.000000 0.677987 0.125760 Pb\n0.500000 0.291782 0.375393 Pb\n0.000000 0.217168 0.084637 Pb\n0.248759 0.905830 0.046284 S\n0.000000 0.784669 0.349659 S\n0.751142 0.070396 0.455991 S\n0.500000 0.284669 0.650341 S\n0.500000 0.189353 0.151361 S\n0.251241 0.405830 0.953716 S\n0.248859 0.070396 0.455991 S\n0.000000 0.689353 0.848639 S\n0.748859 0.570396 0.544009 S\n0.251141 0.570396 0.544009 S\n0.748759 0.405830 0.953716 S\n0.751242 0.905830 0.046284 S\n0.000000 0.083049 0.794799 I\n0.500000 0.583049 0.205201 I\n0.500000 0.876027 0.709066 Cl\n0.000000 0.376027 0.290934 Cl\n",
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842615 0.003450\n7.642579 0.000000 0.000000\n0.000000 -0.031377 -9.706487\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991979 0.393731 0.836442 Ca\n0.008019 0.893731 0.663558 Ca\n0.008019 0.606269 0.163558 Ca\n0.991980 0.106269 0.336442 Ca\n0.529260 0.732421 0.915934 Si\n0.470738 0.232421 0.584066 Si\n0.470738 0.267579 0.084066 Si\n0.529261 0.767579 0.415934 Si\n0.428421 0.911365 0.159023 B\n0.571578 0.411365 0.340977 B\n0.571577 0.088635 0.840977 B\n0.428421 0.588635 0.659023 B\n0.810012 0.535144 0.577359 H\n0.189986 0.035144 0.922642 H\n0.810013 0.964856 0.077359 H\n0.189986 0.464856 0.422641 H\n0.678301 0.335258 0.211208 O\n0.261009 0.413738 0.336691 O\n0.738989 0.913738 0.163309 O\n0.687375 0.588991 0.354287 O\n0.312623 0.088991 0.145713 O\n0.312623 0.411009 0.645713 O\n0.687375 0.911009 0.854287 O\n0.321698 0.835258 0.288792 O\n0.678301 0.164742 0.711208 O\n0.241713 0.095458 0.535989 O\n0.325913 0.697575 0.542354 O\n0.674085 0.197575 0.957646 O\n0.674086 0.302425 0.457646 O\n0.325913 0.802425 0.042354 O\n0.758285 0.904542 0.464011 O\n0.241713 0.404542 0.035989 O\n0.261009 0.086262 0.836691 O\n0.758285 0.595458 0.964012 O\n0.321697 0.664742 0.788792 O\n0.738989 0.586262 0.663309 O\n",
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{
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{
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"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
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