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{
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"structure_string": "Mg8 Si8 O24\n1.0\n5.492348 0.000000 0.000000\n0.000000 8.434219 0.000000\n0.000000 0.000000 9.549996\nMg Si O\n8 8 24\ndirect\n-0.017602 0.892924 0.694681 Mg\n0.942592 0.625364 0.537172 Mg\n0.017602 0.107076 0.194681 Mg\n0.517602 0.392924 0.194681 Mg\n0.057408 0.374636 0.037172 Mg\n0.557408 0.125364 0.037172 Mg\n0.482398 0.607076 0.694681 Mg\n0.442592 0.874636 0.537172 Mg\n0.254361 0.835943 0.964610 Si\n0.245639 0.335943 0.464610 Si\n0.745639 0.164057 0.464610 Si\n0.754362 0.664057 0.964610 Si\n0.285058 0.180878 0.756271 Si\n0.714943 0.819123 0.256271 Si\n0.785058 0.319123 0.756271 Si\n0.214942 0.680878 0.256271 Si\n0.025596 0.210910 0.405166 O\n0.245496 0.545215 0.136799 O\n0.529584 0.258889 0.840190 O\n0.765530 0.154377 0.635565 O\n0.745496 0.954785 0.136799 O\n0.322854 0.008005 0.900266 O\n0.789492 0.272770 0.129281 O\n0.234470 0.845624 0.135565 O\n0.254505 0.045215 0.636799 O\n0.474404 0.710910 0.905167 O\n0.029584 0.241111 0.840190 O\n0.210509 0.727230 0.629281 O\n0.734470 0.654376 0.135565 O\n0.525596 0.289090 0.405166 O\n0.470416 0.741111 0.340190 O\n0.677146 0.991995 0.400266 O\n0.710509 0.772770 0.629281 O\n0.970417 0.758890 0.340190 O\n0.265530 0.345623 0.635565 O\n0.822855 0.491995 0.900266 O\n0.177146 0.508005 0.400266 O\n0.289492 0.227230 0.129281 O\n-0.025596 0.789090 0.905167 O\n0.754505 0.454785 0.636799 O\n",
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{
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"structure_string": "Al10 C6 N2\n1.0\n1.673104 -2.897900 0.000000\n1.673104 2.897900 -0.000000\n0.000000 -0.000000 21.012059\nAl C N\n10 6 2\ndirect\n0.333332 0.666666 0.248759 Al\n0.000000 0.000000 0.152501 Al\n0.333332 0.666666 0.046519 Al\n0.666666 0.333332 0.546519 Al\n0.333332 0.666666 0.450992 Al\n0.000000 0.000000 0.652501 Al\n0.000000 0.000000 0.345008 Al\n0.000000 0.000000 0.845008 Al\n0.666666 0.333332 0.748759 Al\n0.666666 0.333332 0.950992 Al\n0.333332 0.666666 0.138577 C\n0.666666 0.333332 0.638577 C\n0.666666 0.333332 0.858933 C\n0.333332 0.666666 0.358933 C\n0.000000 0.000000 0.498756 C\n0.000000 0.000000 0.998756 C\n0.000000 0.000000 0.248756 N\n0.000000 0.000000 0.748756 N\n",
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{
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"created_at": "2022-09-04T14:38:51.186834Z",
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"structure_string": "V6 H6 O18\n1.0\n5.137979 0.066769 0.084533\n1.211924 7.754378 -0.660559\n-0.163171 -0.777917 8.371552\nV H O\n6 6 18\ndirect\n0.484866 0.816149 0.441290 V\n0.583309 0.182277 0.998092 V\n0.588024 0.187157 0.607245 V\n0.485591 0.804700 0.045349 V\n0.967081 0.930561 0.259770 V\n0.110108 0.068436 0.785461 V\n0.889845 0.606100 0.624897 H\n-0.021709 0.416539 0.682628 H\n0.832913 0.568690 0.221066 H\n0.202013 0.497271 0.600850 H\n-0.056530 0.363141 0.115853 H\n0.154283 0.462768 0.219352 H\n0.446575 0.258681 0.815945 O\n0.613441 0.648298 0.904020 O\n0.450352 0.341260 0.514110 O\n0.458392 0.337176 0.144744 O\n0.623116 0.669696 0.543363 O\n0.930322 0.916938 0.755281 O\n0.135148 0.088382 0.285528 O\n0.636512 0.730319 0.233153 O\n0.350690 0.012189 0.610695 O\n0.907589 0.233366 0.666277 O\n0.908187 0.222957 0.966413 O\n0.167272 0.775057 0.389502 O\n0.715680 0.986468 0.107821 O\n-0.036108 0.451410 0.218911 O\n0.356137 0.000821 0.933876 O\n0.714657 0.994094 0.435056 O\n0.165722 0.770108 0.090983 O\n0.041074 0.533321 0.674471 O\n",
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{
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"structure_string": "Ba1 Sr4\n1.0\n4.196868 -0.003157 16.969288\n2.064623 3.653908 16.969288\n-0.005414 -0.003157 17.480572\nBa Sr\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.598518 0.598517 0.598518 Sr\n0.199520 0.199519 0.199519 Sr\n0.800482 0.800480 0.800481 Sr\n0.401483 0.401482 0.401483 Sr\n",
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{
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"created_at": "2022-09-04T14:37:08.220105Z",
"updated_at": "2022-09-04T14:37:08.220129Z",
"structure_string": "Ga2 H8 N2 F8\n1.0\n4.954401 0.000000 -1.884499\n-0.716805 4.902273 -1.884499\n-0.008341 -0.009650 7.432950\nGa H N F\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.314384 0.591094 0.405478 H\n0.814384 0.314383 0.405478 H\n0.591095 0.091095 0.405478 H\n0.091096 0.814383 0.405478 H\n0.185617 0.685616 0.594522 H\n0.685617 0.408905 0.594521 H\n0.908905 0.185616 0.594521 H\n0.408906 0.908905 0.594521 H\n0.250001 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.681214 0.181213 -0.000000 F\n0.854659 0.854657 0.709317 F\n0.354658 0.354658 0.709317 F\n0.145342 0.145342 0.290683 F\n0.181214 0.318786 -0.000000 F\n0.818787 0.681213 -0.000000 F\n0.318787 0.818786 -0.000000 F\n0.645343 0.645342 0.290683 F\n",
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"structure_string": "Li4 Mn2 P4 H2 O16\n1.0\n0.000000 4.746533 0.008269\n8.246545 0.000000 0.000000\n0.000000 -1.900005 -7.311982\nLi Mn P H O\n4 2 4 2 16\ndirect\n0.364842 0.637478 0.902635 Li\n0.635156 0.137478 0.097365 Li\n0.854205 0.861075 0.403191 Li\n0.145793 0.361075 0.596808 Li\n0.252270 -0.001019 0.746789 Mn\n0.747729 0.498981 0.253210 Mn\n0.880740 0.855086 0.005445 P\n0.119258 0.355086 0.994555 P\n0.377582 0.641966 0.510748 P\n0.622416 0.141965 0.489251 P\n0.771045 0.491343 0.759796 H\n0.228953 0.991343 0.240204 H\n0.882202 0.335286 0.102027 O\n0.117796 0.835286 0.897973 O\n0.992242 0.444407 0.806820 O\n0.866528 0.027089 0.598530 O\n0.741460 0.307647 0.455823 O\n0.007756 0.944407 0.193179 O\n0.612833 0.662613 0.399645 O\n0.258538 0.807647 0.544177 O\n0.761852 0.692261 0.045657 O\n0.638235 0.972535 0.903533 O\n0.498948 0.552334 0.693891 O\n0.387166 0.162613 0.600355 O\n0.238146 0.192261 0.954342 O\n0.361764 0.472535 0.096466 O\n0.501050 0.052334 0.306109 O\n0.133470 0.527089 0.401470 O\n",
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"structure_string": "Rb2 Na1 Ga1 Cl6\n1.0\n6.222458 -0.000000 3.592538\n2.074153 5.866590 3.592538\n-0.000000 -0.000000 7.185076\nRb Na Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ga\n0.765249 0.234751 0.234752 Cl\n0.234751 0.234751 0.765249 Cl\n0.234751 0.765249 0.765250 Cl\n0.234751 0.765249 0.234752 Cl\n0.765249 0.234751 0.765250 Cl\n0.765249 0.765249 0.234752 Cl\n",
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"structure_string": "Li4 Ti2 F12\n1.0\n4.652639 -0.000000 0.000000\n-0.000000 4.652639 0.000000\n0.000000 0.000000 8.938368\nLi Ti F\n4 2 12\ndirect\n0.000000 0.000000 0.338518 Li\n0.500000 0.500000 0.838518 Li\n0.500000 0.500000 0.161483 Li\n0.000000 0.000000 0.661483 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.804802 0.195198 0.155413 F\n0.804802 0.195198 0.844587 F\n0.695198 0.695198 0.344587 F\n0.304802 0.304802 0.344587 F\n0.195198 0.804802 0.844587 F\n0.288356 0.288356 0.000000 F\n0.711644 0.711644 0.000000 F\n0.195198 0.804802 0.155413 F\n0.695198 0.695198 0.655413 F\n0.211644 0.788356 0.500000 F\n0.788356 0.211644 0.500000 F\n0.304802 0.304802 0.655413 F\n",
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"structure_string": "Li1 Mn2 P2 O8\n1.0\n4.887867 -0.039003 0.124586\n-0.237601 4.882242 -0.124603\n0.042998 -0.041261 7.080957\nLi Mn P O\n1 2 2 8\ndirect\n0.493742 0.493741 0.000001 Li\n0.961384 0.961381 -0.000001 Mn\n0.549840 0.549842 0.500003 Mn\n0.479833 0.016245 0.250475 P\n0.016245 0.479832 0.749526 P\n0.562695 0.710760 0.239378 O\n0.638524 0.152633 0.076566 O\n0.147219 0.570644 0.561375 O\n0.171691 0.044797 0.222553 O\n0.044795 0.171687 0.777447 O\n0.570641 0.147219 0.438625 O\n0.152636 0.638523 0.923436 O\n0.710758 0.562697 0.760626 O\n",
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}