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{
"id": "jvasp-88770",
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"structure_string": "Ba3 Nb6 Si4 O26\n1.0\n9.143801 0.000000 -0.000000\n-4.571901 7.918764 0.000000\n-0.000000 0.000000 7.791585\nBa Nb Si O\n3 6 4 26\ndirect\n0.603233 0.000000 0.500000 Ba\n0.396767 0.396767 0.500000 Ba\n-0.000000 0.603233 0.500000 Ba\n0.239009 0.000000 0.242853 Nb\n0.760990 0.760990 0.757147 Nb\n-0.000000 0.239009 0.757147 Nb\n-0.000000 0.239009 0.242853 Nb\n0.760990 0.760990 0.242853 Nb\n0.239009 0.000000 0.757147 Nb\n0.666667 0.333333 0.208059 Si\n0.666667 0.333333 0.791940 Si\n0.333333 0.666667 0.208059 Si\n0.333333 0.666667 0.791940 Si\n0.695084 0.511366 0.711434 O\n0.488634 0.183718 0.288565 O\n0.821452 0.000000 0.775194 O\n0.178548 0.178548 0.224806 O\n-0.000000 0.821452 0.224806 O\n-0.000000 0.821452 0.775194 O\n-0.000000 0.221139 0.500000 O\n-0.000000 0.290782 0.000000 O\n0.778860 0.778860 0.500000 O\n0.221139 0.000000 0.500000 O\n0.511366 0.695084 0.288565 O\n0.304916 0.816282 0.288565 O\n0.183718 0.488633 0.288565 O\n0.488634 0.183718 0.711434 O\n0.183718 0.488633 0.711434 O\n0.821452 0.000000 0.224806 O\n0.511366 0.695084 0.711434 O\n0.695084 0.511366 0.288565 O\n0.816282 0.304916 0.288565 O\n0.816282 0.304916 0.711434 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.290782 0.000000 0.000000 O\n0.709217 0.709217 0.000000 O\n0.304916 0.816282 0.711434 O\n0.178548 0.178548 0.775194 O\n",
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{
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"structure_string": "Ta13 Se26\n1.0\n8.600047 0.035571 1.957326\n-0.147919 9.167996 2.511693\n0.028436 0.035341 11.268757\nTa Se\n13 26\ndirect\n0.000000 0.000000 0.000000 Ta\n0.640479 0.849258 0.513302 Ta\n0.512104 0.638489 0.848179 Ta\n0.487897 0.361511 0.151821 Ta\n0.849221 0.513159 0.638571 Ta\n0.150780 0.486841 0.361429 Ta\n0.359522 0.150743 0.486698 Ta\n0.930714 0.786664 0.283119 Ta\n0.282051 0.930042 0.786417 Ta\n0.717950 0.069958 0.213583 Ta\n0.786311 0.282721 0.930377 Ta\n0.213690 0.717280 0.069624 Ta\n0.069287 0.213336 0.716881 Ta\n0.483193 0.342644 0.934407 Se\n0.516808 0.657356 0.065593 Se\n0.323820 0.878184 0.556497 Se\n0.676181 0.121816 0.443503 Se\n0.177483 0.421848 0.159181 Se\n0.596529 0.896196 0.749034 Se\n0.403472 0.103804 0.250966 Se\n0.082661 0.194244 0.476773 Se\n0.917340 0.805756 0.523227 Se\n0.140516 0.498395 0.602457 Se\n0.822518 0.578152 0.840819 Se\n0.859484 0.501606 0.397543 Se\n0.624288 0.794502 0.309465 Se\n0.223747 0.644622 0.856451 Se\n0.227432 0.753280 0.292777 Se\n0.772569 0.246720 0.707223 Se\n0.375712 0.205498 0.690535 Se\n0.554390 0.573537 0.628400 Se\n0.006901 0.058043 0.217829 Se\n-0.006900 0.941957 0.782171 Se\n0.304262 0.984284 0.993019 Se\n0.695739 0.015717 0.006981 Se\n0.079706 0.281917 0.919175 Se\n0.920295 0.718083 0.080825 Se\n0.776253 0.355379 0.143549 Se\n0.445610 0.426463 0.371600 Se\n",
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{
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"structure_string": "Ca2 Mg5 Si8 O22 F2\n1.0\n5.272691 0.014526 0.640163\n1.945797 8.438209 4.707356\n0.017768 -0.002750 10.316402\nCa Mg Si O F\n2 5 8 22 2\ndirect\n0.500000 0.277189 0.445624 Ca\n0.500000 0.722812 0.554376 Ca\n0.500000 0.088279 0.823444 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.911722 0.176556 Mg\n0.000001 0.824314 0.351371 Mg\n0.000000 0.175686 0.648629 Mg\n0.701228 0.367792 0.832504 Si\n0.805765 0.881513 0.657110 Si\n0.298773 0.799704 0.832504 Si\n0.805765 0.538623 0.342890 Si\n0.298772 0.632209 0.167496 Si\n0.194236 0.461378 0.657110 Si\n0.701228 0.200297 0.167496 Si\n0.194235 0.118488 0.342890 Si\n0.209602 0.114914 0.499308 O\n0.591249 0.533842 0.238376 O\n0.104844 0.787267 0.726924 O\n0.209602 0.614222 0.500692 O\n0.291693 0.656418 0.000000 O\n0.895157 0.212733 0.273075 O\n0.725139 0.051183 0.660964 O\n0.790399 0.385779 0.499307 O\n0.725140 0.712148 0.339035 O\n0.218771 0.971364 0.831188 O\n0.895157 0.485809 0.726924 O\n0.274861 0.287852 0.660965 O\n0.790399 0.885086 0.500692 O\n0.781230 0.028637 0.168812 O\n0.408752 0.466159 0.761624 O\n0.708308 0.343583 -0.000000 O\n0.274861 0.948817 0.339035 O\n0.408751 0.227783 0.238376 O\n0.591249 0.772218 0.761624 O\n0.218771 0.802551 0.168812 O\n0.104843 0.514191 0.273076 O\n0.781230 0.197449 0.831187 O\n0.712893 0.896989 -0.000000 F\n0.287107 0.103011 -0.000000 F\n",
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{
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"structure_string": "Co2 H18 C6 N12\n1.0\n7.113669 0.002346 -0.952823\n-1.089265 7.029779 -0.952823\n0.002010 0.002346 7.177197\nCo H C N\n2 18 6 12\ndirect\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500001 Co\n0.592533 0.265369 0.238305 H\n0.199310 0.447710 0.656865 H\n0.734632 0.761696 0.407468 H\n0.407468 0.734632 0.761696 H\n0.761696 0.407468 0.734632 H\n0.265369 0.238305 0.592533 H\n0.552291 0.343136 0.800691 H\n0.238305 0.592533 0.265369 H\n0.447710 0.656865 0.199311 H\n0.567438 0.848400 0.655453 H\n0.655452 0.567438 0.848400 H\n0.151602 0.344549 0.432564 H\n0.432563 0.151602 0.344549 H\n0.344549 0.432564 0.151602 H\n0.800691 0.552291 0.343136 H\n0.343136 0.800691 0.552291 H\n0.656865 0.199311 0.447710 H\n0.848399 0.655452 0.567438 H\n0.235940 0.114072 0.950919 C\n0.885929 0.049082 0.764061 C\n0.950919 0.235941 0.114072 C\n0.114072 0.950919 0.235941 C\n0.049082 0.764061 0.885929 C\n0.764061 0.885929 0.049082 C\n0.448884 0.745143 0.631081 N\n0.745143 0.631081 0.448885 N\n0.631081 0.448885 0.745143 N\n0.811676 0.078038 0.617504 N\n0.078038 0.617504 0.811677 N\n0.617504 0.811677 0.078038 N\n0.368920 0.551117 0.254859 N\n0.921963 0.382498 0.188325 N\n0.382497 0.188325 0.921964 N\n0.254858 0.368920 0.551117 N\n0.188325 0.921963 0.382498 N\n0.551117 0.254859 0.368920 N\n",
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{
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"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290954 0.110635 0.392233\n1.450933 7.645815 1.749500\n0.029888 0.036346 10.787396\nH Pb C O\n16 2 12 8\ndirect\n0.314605 0.832934 0.317396 H\n0.865447 0.123171 0.699685 H\n0.868259 0.625274 0.698645 H\n0.778384 0.355875 0.659656 H\n0.774833 0.857891 0.659622 H\n0.291814 0.854423 0.549342 H\n0.363543 0.123679 0.592676 H\n0.365331 0.622776 0.593048 H\n0.293083 0.355312 0.549234 H\n0.817505 0.835433 0.423004 H\n0.889781 0.102877 0.466816 H\n0.891019 0.603787 0.466716 H\n0.404445 0.102351 0.356401 H\n0.407985 0.600315 0.356451 H\n0.317469 0.335053 0.316353 H\n0.819365 0.334509 0.423377 H\n0.094343 0.478827 0.007704 Pb\n0.088532 0.979365 0.008355 Pb\n0.670536 0.239393 0.681170 C\n0.462370 0.248279 0.801603 C\n0.464341 0.746129 0.802164 C\n0.483216 0.235851 0.567879 C\n0.483302 0.735587 0.567969 C\n0.670649 0.740137 0.680993 C\n0.718525 0.712028 0.213903 C\n0.699533 0.722624 0.448087 C\n0.512343 0.218815 0.334880 C\n0.512193 0.718062 0.335066 C\n0.720518 0.209888 0.214453 C\n0.699667 0.222347 0.448172 C\n0.552559 0.631259 0.904468 O\n0.975990 0.596966 0.215260 O\n0.975004 0.092449 0.217215 O\n0.630350 0.826885 0.111586 O\n0.636748 0.324174 0.111413 O\n0.206850 0.861170 0.800825 O\n0.207878 0.365711 0.798860 O\n0.546152 0.133961 0.904627 O\n",
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{
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