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{
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{
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"structure_string": "Ca16 Hg36\n1.0\n11.048943 0.000000 0.000000\n0.000000 11.048943 0.000000\n0.000000 0.000000 11.048943\nCa Hg\n16 36\ndirect\n0.136736 0.136736 0.136736 Ca\n0.863264 0.863264 0.136736 Ca\n0.538408 0.190886 0.190886 Ca\n0.809114 0.461592 0.190886 Ca\n0.190886 0.538408 0.190886 Ca\n0.461592 0.809114 0.190886 Ca\n0.809114 0.190886 0.461592 Ca\n0.190886 0.809114 0.461592 Ca\n0.190886 0.190886 0.538408 Ca\n0.809114 0.809114 0.538408 Ca\n0.461592 0.190886 0.809114 Ca\n0.190886 0.461592 0.809114 Ca\n0.809114 0.538408 0.809114 Ca\n0.538408 0.809114 0.809114 Ca\n0.863264 0.136736 0.863264 Ca\n0.136736 0.863264 0.863264 Ca\n0.359622 0.000000 0.000000 Hg\n0.640378 0.000000 0.000000 Hg\n0.000000 0.359622 0.000000 Hg\n0.000000 0.640378 0.000000 Hg\n0.325613 0.325613 0.025257 Hg\n0.674387 0.674387 0.025257 Hg\n0.500000 0.500000 0.151796 Hg\n0.840596 0.159403 0.159403 Hg\n0.159403 0.840596 0.159403 Hg\n0.314083 0.314083 0.314083 Hg\n0.685917 0.685917 0.314083 Hg\n0.325613 0.025257 0.325613 Hg\n0.025257 0.325613 0.325613 Hg\n0.974743 0.674387 0.325613 Hg\n0.674387 0.974743 0.325613 Hg\n0.000000 0.000000 0.359622 Hg\n0.607326 0.392674 0.392674 Hg\n0.392674 0.607326 0.392674 Hg\n0.500000 0.151796 0.500000 Hg\n0.151796 0.500000 0.500000 Hg\n0.848203 0.500000 0.500000 Hg\n0.500000 0.848203 0.500000 Hg\n0.392674 0.392674 0.607326 Hg\n0.607326 0.607326 0.607326 Hg\n0.000000 0.000000 0.640378 Hg\n0.674387 0.025257 0.674387 Hg\n0.974743 0.325613 0.674387 Hg\n0.025257 0.674387 0.674387 Hg\n0.325613 0.974743 0.674387 Hg\n0.685917 0.314083 0.685917 Hg\n0.314083 0.685917 0.685917 Hg\n0.159403 0.159403 0.840596 Hg\n0.840596 0.840596 0.840596 Hg\n0.500000 0.500000 0.848203 Hg\n0.674387 0.325613 0.974743 Hg\n0.325613 0.674387 0.974743 Hg\n",
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{
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"structure_string": "Rb2 Tm4\n1.0\n6.200558 3.579894 10.125469\n-6.200558 3.579894 10.125469\n0.000000 -7.159788 10.125469\nRb Tm\n2 4\ndirect\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.375000 0.375000 0.375000 Tm\n0.875000 0.375000 0.375000 Tm\n0.375000 0.875000 0.375000 Tm\n0.375000 0.375000 0.875000 Tm\n",
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{
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"created_at": "2022-09-04T15:18:05.708303Z",
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"structure_string": "Ba14 Na10 Li6 N6\n1.0\n8.767221 -8.767221 0.000000\n-8.767221 0.000000 -8.767221\n8.767221 8.767221 0.000000\nBa Li N Na\n14 6 6 10\ndirect\n0.316101 0.210734 0.105367 Ba\n0.894633 0.210734 0.105367 Ba\n0.894633 0.789266 0.105367 Ba\n0.292139 0.000000 0.292139 Ba\n0.707861 0.000000 0.292139 Ba\n0.292139 0.584278 0.292139 Ba\n0.104552 0.209104 0.313656 Ba\n0.894633 0.789266 0.683899 Ba\n0.292139 0.000000 0.707861 Ba\n0.707861 0.000000 0.707861 Ba\n0.707861 0.415722 0.707861 Ba\n0.104552 0.209104 0.895448 Ba\n0.104552 0.790896 0.895448 Ba\n0.686344 0.790896 0.895448 Ba\n0.000000 0.000000 0.000000 Li\n0.682403 0.364805 0.047208 Li\n0.682403 0.364805 0.317597 Li\n0.682403 0.635194 0.317597 Li\n0.952792 0.635194 0.317597 Li\n0.500000 0.000000 0.500000 Li\n0.149107 0.000000 0.149107 N\n0.850893 0.000000 0.149107 N\n0.149107 0.298214 0.149107 N\n0.149107 0.000000 0.850893 N\n0.850893 0.000000 0.850893 N\n0.850893 0.701786 0.850893 N\n0.991578 0.500000 0.008422 Na\n0.508422 0.016843 0.008422 Na\n0.508422 0.500000 0.008422 Na\n0.508422 0.500000 0.491578 Na\n0.991578 0.500000 0.491578 Na\n0.991578 0.983156 0.491578 Na\n0.016177 0.344118 0.672059 Na\n0.327941 0.344118 0.672059 Na\n0.327941 0.655882 0.672059 Na\n0.327941 0.655882 0.983823 Na\n",
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"structure_string": "Rb16 Sn16\n1.0\n-11.804993 0.000000 0.000000\n0.000000 -11.804993 0.000000\n5.902496 5.902496 9.668715\nRb Sn\n16 16\ndirect\n0.750000 0.109956 0.000000 Rb\n0.250000 0.390044 0.000000 Rb\n0.750000 0.609956 0.000000 Rb\n0.250000 0.890044 0.000000 Rb\n0.504596 0.254596 0.250000 Rb\n0.745405 0.495404 0.250000 Rb\n0.245404 0.754596 0.250000 Rb\n0.004596 0.995404 0.250000 Rb\n0.390044 0.250000 0.500000 Rb\n0.890045 0.250000 0.500000 Rb\n0.109956 0.750000 0.500000 Rb\n0.609956 0.750000 0.500000 Rb\n0.995405 0.004596 0.750000 Rb\n0.754596 0.245404 0.750000 Rb\n0.254596 0.504596 0.750000 Rb\n0.495404 0.745404 0.750000 Rb\n0.133736 0.210317 0.140017 Sn\n0.006280 0.429700 0.140017 Sn\n0.506280 0.710317 0.140017 Sn\n0.633737 0.929700 0.140017 Sn\n0.070300 0.366264 0.359984 Sn\n0.289684 0.493720 0.359984 Sn\n0.789683 0.866263 0.359984 Sn\n0.570300 0.993720 0.359984 Sn\n0.429700 0.006280 0.640017 Sn\n0.210317 0.133736 0.640017 Sn\n0.710317 0.506280 0.640017 Sn\n0.929700 0.633737 0.640017 Sn\n0.366263 0.070300 0.859983 Sn\n0.493720 0.289683 0.859983 Sn\n0.993720 0.570300 0.859983 Sn\n0.866263 0.789683 0.859983 Sn\n",
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{
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{
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{
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"structure_string": "Cs8 Si8 O20\n1.0\n8.346450 -8.383910 0.000000\n8.346450 8.383910 0.000000\n-2.282319 0.000000 9.610430\nCs O Si\n8 20 8\ndirect\n0.551295 0.708664 0.125298 Cs\n0.978333 0.710709 0.128703 Cs\n0.289291 0.021667 0.371297 Cs\n0.291336 0.448705 0.374702 Cs\n0.708664 0.551295 0.625298 Cs\n0.710709 0.978333 0.628703 Cs\n0.021667 0.289291 0.871297 Cs\n0.448705 0.291336 0.874702 Cs\n0.253333 0.510219 0.020231 O\n0.253813 0.818422 0.027004 O\n0.254939 0.128360 0.028925 O\n0.618160 0.053369 0.243388 O\n0.945342 0.054658 0.250000 O\n0.620815 0.379185 0.250000 O\n0.946631 0.381840 0.256612 O\n0.871640 0.745061 0.471075 O\n0.181578 0.746187 0.472996 O\n0.489781 0.746667 0.479769 O\n0.510219 0.253333 0.520231 O\n0.818422 0.253813 0.527004 O\n0.128360 0.254939 0.528925 O\n0.053369 0.618160 0.743388 O\n0.379185 0.620815 0.750000 O\n0.054658 0.945342 0.750000 O\n0.381840 0.946631 0.756612 O\n0.745061 0.871640 0.971075 O\n0.746187 0.181578 0.972996 O\n0.746667 0.489781 0.979769 O\n0.766011 0.037617 0.111110 Si\n0.768114 0.359185 0.117440 Si\n0.640815 0.231886 0.382560 Si\n0.962383 0.233989 0.388890 Si\n0.037617 0.766011 0.611110 Si\n0.359185 0.768114 0.617440 Si\n0.231886 0.640815 0.882560 Si\n0.233989 0.962383 0.888890 Si\n",
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{
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"structure_string": "Cs8 Si8 S20\n1.0\n8.346450 -8.383910 0.000000\n8.346450 8.383910 0.000000\n-2.282319 0.000000 9.610430\nCs S Si\n8 20 8\ndirect\n0.551295 0.708664 0.125298 Cs\n0.978333 0.710709 0.128703 Cs\n0.289291 0.021667 0.371297 Cs\n0.291336 0.448705 0.374702 Cs\n0.708664 0.551295 0.625298 Cs\n0.710709 0.978333 0.628703 Cs\n0.021667 0.289291 0.871297 Cs\n0.448705 0.291336 0.874702 Cs\n0.253333 0.510219 0.020231 S\n0.253813 0.818422 0.027004 S\n0.254939 0.128360 0.028925 S\n0.618160 0.053369 0.243388 S\n0.945342 0.054658 0.250000 S\n0.620815 0.379185 0.250000 S\n0.946631 0.381840 0.256612 S\n0.871640 0.745061 0.471075 S\n0.181578 0.746187 0.472996 S\n0.489781 0.746667 0.479769 S\n0.510219 0.253333 0.520231 S\n0.818422 0.253813 0.527004 S\n0.128360 0.254939 0.528925 S\n0.053369 0.618160 0.743388 S\n0.379185 0.620815 0.750000 S\n0.054658 0.945342 0.750000 S\n0.381840 0.946631 0.756612 S\n0.745061 0.871640 0.971075 S\n0.746187 0.181578 0.972996 S\n0.746667 0.489781 0.979769 S\n0.766011 0.037617 0.111110 Si\n0.768114 0.359185 0.117440 Si\n0.640815 0.231886 0.382560 Si\n0.962383 0.233989 0.388890 Si\n0.037617 0.766011 0.611110 Si\n0.359185 0.768114 0.617440 Si\n0.231886 0.640815 0.882560 Si\n0.233989 0.962383 0.888890 Si\n",
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{
"id": "oqmd-1344756",
"created_at": "2022-09-04T15:46:00.307075Z",
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"structure_string": "Rb8 Si8 S20\n1.0\n8.346450 -8.383910 0.000000\n8.346450 8.383910 0.000000\n-2.282319 0.000000 9.610430\nRb S Si\n8 20 8\ndirect\n0.551295 0.708664 0.125298 Rb\n0.978333 0.710709 0.128703 Rb\n0.289291 0.021667 0.371297 Rb\n0.291336 0.448705 0.374702 Rb\n0.708664 0.551295 0.625298 Rb\n0.710709 0.978333 0.628703 Rb\n0.021667 0.289291 0.871297 Rb\n0.448705 0.291336 0.874702 Rb\n0.253333 0.510219 0.020231 S\n0.253813 0.818422 0.027004 S\n0.254939 0.128360 0.028925 S\n0.618160 0.053369 0.243388 S\n0.945342 0.054658 0.250000 S\n0.620815 0.379185 0.250000 S\n0.946631 0.381840 0.256612 S\n0.871640 0.745061 0.471075 S\n0.181578 0.746187 0.472996 S\n0.489781 0.746667 0.479769 S\n0.510219 0.253333 0.520231 S\n0.818422 0.253813 0.527004 S\n0.128360 0.254939 0.528925 S\n0.053369 0.618160 0.743388 S\n0.379185 0.620815 0.750000 S\n0.054658 0.945342 0.750000 S\n0.381840 0.946631 0.756612 S\n0.745061 0.871640 0.971075 S\n0.746187 0.181578 0.972996 S\n0.746667 0.489781 0.979769 S\n0.766011 0.037617 0.111110 Si\n0.768114 0.359185 0.117440 Si\n0.640815 0.231886 0.382560 Si\n0.962383 0.233989 0.388890 Si\n0.037617 0.766011 0.611110 Si\n0.359185 0.768114 0.617440 Si\n0.231886 0.640815 0.882560 Si\n0.233989 0.962383 0.888890 Si\n",
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}