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{
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{
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{
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"structure_string": "Ba8 Ga4 Bi4 Se20\n1.0\n9.290114 0.000000 0.000000\n0.000000 9.451251 0.000000\n0.000000 0.000000 12.841301\nBa Ga Bi Se\n8 4 4 20\ndirect\n0.007511 0.119119 0.824536 Ba\n0.492489 0.380881 0.324536 Ba\n0.507511 0.880881 0.175464 Ba\n0.992489 0.619119 0.675464 Ba\n0.992489 0.880881 0.175464 Ba\n0.507511 0.619119 0.675464 Ba\n0.492489 0.119119 0.824536 Ba\n0.007511 0.380881 0.324536 Ba\n0.250000 0.331776 0.597019 Ga\n0.250000 0.168224 0.097019 Ga\n0.750000 0.668224 0.402981 Ga\n0.750000 0.831776 0.902981 Ga\n0.250000 0.971225 0.522247 Bi\n0.250000 0.528775 0.022247 Bi\n0.750000 0.028775 0.477753 Bi\n0.750000 0.471225 0.977753 Bi\n0.041579 0.178127 0.559387 Se\n0.458421 0.321873 0.059387 Se\n0.541579 0.821873 0.440613 Se\n0.958421 0.678127 0.940613 Se\n0.958421 0.821873 0.440613 Se\n0.541579 0.678127 0.940613 Se\n0.458421 0.178127 0.559387 Se\n0.041579 0.321873 0.059387 Se\n0.250000 0.875697 0.721916 Se\n0.250000 0.624303 0.221916 Se\n0.750000 0.124303 0.278084 Se\n0.750000 0.375697 0.778084 Se\n0.250000 0.390353 0.781461 Se\n0.250000 0.109647 0.281461 Se\n0.750000 0.609647 0.218539 Se\n0.750000 0.890353 0.718539 Se\n0.250000 0.962145 0.991340 Se\n0.250000 0.537855 0.491340 Se\n0.750000 0.037855 0.008660 Se\n0.750000 0.462145 0.508660 Se\n",
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{
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"created_at": "2022-09-04T14:39:09.492555Z",
"structure_string": "Rb1 Sc1 S2 O8\n1.0\n2.529818 -4.381772 0.000000\n2.529818 4.381772 0.000000\n0.000000 0.000000 8.768509\nRb Sc S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.210598 S\n0.666667 0.333333 0.789402 S\n0.095961 0.361742 0.151378 O\n0.638258 0.734219 0.151378 O\n0.361742 0.095961 0.848622 O\n0.265781 0.904039 0.151378 O\n0.734219 0.638258 0.848622 O\n0.904039 0.265781 0.848622 O\n0.333333 0.666667 0.376825 O\n0.666667 0.333333 0.623175 O\n",
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{
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{
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"structure_string": "Sn10 W16 O46\n1.0\n4.077982 -7.063272 0.000000\n4.077982 7.063272 0.000000\n0.000000 0.000000 19.491387\nSn W O\n10 16 46\ndirect\n0.200344 0.295791 0.250000 Sn\n0.904553 0.200344 0.750000 Sn\n0.295791 0.095447 0.750000 Sn\n0.704209 0.904553 0.250000 Sn\n0.095447 0.799656 0.250000 Sn\n0.799656 0.704209 0.750000 Sn\n0.333333 0.666667 0.060384 Sn\n0.666667 0.333333 0.560384 Sn\n0.666667 0.333333 0.939616 Sn\n0.333333 0.666667 0.439616 Sn\n0.748716 0.943616 0.569904 W\n0.805100 0.748716 0.069904 W\n0.943616 0.194900 0.069904 W\n0.056384 0.805100 0.569904 W\n0.194900 0.251284 0.569904 W\n0.251284 0.056384 0.069904 W\n0.748716 0.943616 0.930096 W\n0.805100 0.748716 0.430096 W\n0.943616 0.194900 0.430096 W\n0.056384 0.805100 0.930096 W\n0.194900 0.251284 0.930096 W\n0.251284 0.056384 0.430096 W\n0.333333 0.666667 0.674446 W\n0.666667 0.333333 0.174446 W\n0.666667 0.333333 0.325554 W\n0.333333 0.666667 0.825554 W\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.176211 0.223988 0.377646 O\n0.952223 0.176211 0.877646 O\n0.223988 0.047777 0.877646 O\n0.776012 0.952223 0.377646 O\n0.047777 0.823789 0.377646 O\n0.823789 0.776012 0.877646 O\n0.823789 0.776012 0.622354 O\n0.047777 0.823789 0.122354 O\n0.776012 0.952223 0.122354 O\n0.223988 0.047777 0.622354 O\n0.952223 0.176211 0.622354 O\n0.176211 0.223988 0.122354 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.145439 0.404784 0.496058 O\n0.740654 0.145439 0.503942 O\n0.740654 0.145439 0.996058 O\n0.595216 0.740654 0.496058 O\n0.259346 0.854561 0.496058 O\n0.854561 0.595216 0.996058 O\n0.854561 0.595216 0.503942 O\n0.259346 0.854561 0.003942 O\n0.595216 0.740654 0.003942 O\n0.404784 0.259346 0.503942 O\n0.467919 0.291158 0.250000 O\n0.176761 0.467919 0.750000 O\n0.291158 0.823239 0.750000 O\n0.708842 0.176761 0.250000 O\n0.823239 0.532081 0.250000 O\n0.532081 0.708842 0.750000 O\n0.482369 0.121292 0.129224 O\n0.361077 0.482369 0.629224 O\n0.121292 0.638923 0.629224 O\n0.878708 0.361077 0.129224 O\n0.638923 0.517631 0.129224 O\n0.517631 0.878708 0.629224 O\n0.517631 0.878708 0.870776 O\n0.638923 0.517631 0.370776 O\n0.878708 0.361077 0.370776 O\n0.121292 0.638923 0.870776 O\n0.361077 0.482369 0.870776 O\n0.482369 0.121292 0.370776 O\n0.145439 0.404784 0.003942 O\n0.404784 0.259346 0.996058 O\n",
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{
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{
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{
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}