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{
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{
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{
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{
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"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.664817 -0.019291 -2.468630\n-2.855415 8.823996 -1.593473\n0.086996 -0.280921 9.595844\nSr Mg Te O\n6 1 8 22\ndirect\n0.281888 0.045936 0.151476 Sr\n0.772031 0.966926 0.883884 Sr\n0.828615 0.068860 0.304524 Sr\n0.100349 0.937777 0.640807 Sr\n0.305450 0.505821 0.614364 Sr\n0.701281 0.484451 0.384054 Sr\n0.387134 0.864124 0.864775 Mg\n0.079898 0.363293 0.206309 Te\n0.925184 0.644411 0.790309 Te\n0.049633 0.276092 0.785718 Te\n0.953217 0.716399 0.198603 Te\n0.502083 0.722708 0.096459 Te\n0.537386 0.290550 0.954050 Te\n0.474229 0.804079 0.472096 Te\n0.544051 0.207672 0.571011 Te\n0.998737 0.533818 0.647005 O\n0.004365 0.463383 0.354681 O\n0.412082 0.589595 0.392898 O\n0.601276 0.422593 0.631697 O\n0.849204 0.202042 0.097452 O\n0.140030 0.822169 0.869863 O\n0.745368 0.171454 0.712957 O\n0.296701 0.861446 0.334281 O\n0.367661 0.798058 0.628999 O\n0.614211 0.193877 0.399818 O\n0.029477 0.174030 0.587859 O\n0.928576 0.813125 0.379106 O\n0.474054 0.287452 0.125715 O\n0.524919 0.714385 0.892529 O\n0.507798 0.939726 0.094130 O\n0.432742 0.075196 0.840674 O\n0.939307 0.882062 0.110317 O\n0.060139 0.112126 0.870976 O\n0.189246 0.246022 0.322410 O\n0.796937 0.748430 0.667175 O\n0.703645 0.569419 0.120004 O\n0.332762 0.351922 0.834349 O\n",
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{
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"structure_string": "Si3 Ni1 Mo12\n1.0\n4.924562 0.000000 0.000000\n0.000000 4.923440 0.000000\n0.000000 0.000000 9.854980\nSi Ni Mo\n3 1 12\ndirect\n0.500000 0.500000 0.750000 Si\n0.000000 0.000000 0.000013 Si\n0.000000 0.000000 0.499987 Si\n0.500000 0.500000 0.250000 Ni\n0.000000 0.500000 0.375378 Mo\n0.000000 0.500000 0.874441 Mo\n0.500000 0.249720 0.000514 Mo\n0.500000 0.249720 0.499486 Mo\n0.750163 0.000000 0.250000 Mo\n0.749251 0.000000 0.750000 Mo\n0.000000 0.500000 0.124622 Mo\n0.000000 0.500000 0.625559 Mo\n0.500000 0.750280 0.000514 Mo\n0.500000 0.750280 0.499486 Mo\n0.249837 0.000000 0.250000 Mo\n0.250749 0.000000 0.750000 Mo\n",
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"density": 8.994323831536398,
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{
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{
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"structure_string": "Rb4 Hg2 B18 Se18\n1.0\n9.974288 0.000000 0.000000\n-4.761786 9.639108 0.000000\n-0.124615 -2.284697 11.084736\nRb Hg B Se\n4 2 18 18\ndirect\n0.791542 0.174355 0.001590 Rb\n0.208458 0.825645 0.998410 Rb\n0.175505 0.344155 0.504242 Rb\n0.824495 0.655845 0.495758 Rb\n0.325260 0.318493 0.074700 Hg\n0.674740 0.681507 0.925300 Hg\n0.515708 0.163287 0.551780 B\n0.484292 0.836713 0.448220 B\n0.662111 0.120013 0.586389 B\n0.337889 0.879987 0.413611 B\n0.486065 0.042111 0.647951 B\n0.513935 0.957889 0.352049 B\n0.339070 0.008273 0.538580 B\n0.660930 0.991727 0.461420 B\n0.423541 0.064044 0.406341 B\n0.576459 0.935956 0.593659 B\n0.621218 0.132027 0.436149 B\n0.378782 0.867973 0.563851 B\n0.751159 0.414860 0.713996 B\n0.248841 0.585140 0.286004 B\n0.251382 0.086821 0.779549 B\n0.748618 0.913179 0.220451 B\n0.569964 0.284423 0.260696 B\n0.430036 0.715577 0.739304 B\n0.556392 0.362405 0.626819 Se\n0.443608 0.637595 0.373181 Se\n0.838893 0.279767 0.694249 Se\n0.161107 0.720233 0.305751 Se\n0.447349 0.094696 0.819328 Se\n0.552651 0.905304 0.180672 Se\n0.163350 0.028547 0.609554 Se\n0.836650 0.971453 0.390446 Se\n0.363249 0.157044 0.290129 Se\n0.636751 0.842956 0.709871 Se\n0.743956 0.287227 0.347927 Se\n0.256044 0.712773 0.652073 Se\n0.868914 0.601250 0.813924 Se\n0.131086 0.398750 0.186076 Se\n0.129910 0.121801 0.900960 Se\n0.870090 0.878199 0.099040 Se\n0.607965 0.406782 0.144532 Se\n0.392035 0.593218 0.855468 Se\n",
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}