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{
"id": "jvasp-100324",
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"structure_string": "Na6 Sc4 B6 O18\n1.0\n7.388136 0.016974 3.856449\n2.344671 7.006237 3.856449\n0.023522 0.016974 8.334038\nNa Sc B O\n6 4 6 18\ndirect\n0.917895 0.582106 0.250000 Na\n0.082106 0.417894 0.750000 Na\n0.582106 0.249999 0.917895 Na\n0.750000 0.082105 0.417894 Na\n0.250000 0.917894 0.582106 Na\n0.417894 0.750000 0.082106 Na\n0.827436 0.827435 0.827436 Sc\n0.172565 0.172565 0.172565 Sc\n0.672565 0.672564 0.672565 Sc\n0.327435 0.327435 0.327436 Sc\n0.090666 0.750000 0.409334 B\n0.250000 0.590666 0.909335 B\n0.750000 0.409334 0.090666 B\n0.909335 0.249999 0.590666 B\n0.590666 0.909334 0.250000 B\n0.409334 0.090665 0.750000 B\n0.314995 0.156768 0.904457 O\n0.429570 0.070430 0.250000 O\n0.070430 0.250000 0.429570 O\n0.404456 0.656768 0.814996 O\n0.570430 0.929570 0.750001 O\n0.685005 0.843232 0.095544 O\n0.185005 0.595544 0.343232 O\n0.343232 0.185004 0.595544 O\n0.156768 0.904456 0.314996 O\n0.595544 0.343232 0.185005 O\n0.750000 0.570429 0.929571 O\n0.656768 0.814995 0.404456 O\n0.904457 0.314995 0.156768 O\n0.843232 0.095543 0.685005 O\n0.814996 0.404456 0.656769 O\n0.095544 0.685004 0.843232 O\n0.250000 0.429570 0.070430 O\n0.929570 0.750000 0.570430 O\n",
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{
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"structure_string": "Si2 Ni4 P8 O28\n1.0\n4.884937 0.000000 0.000000\n-2.442468 8.231611 -2.030851\n0.000000 -0.036934 12.255196\nSi Ni P O\n2 4 8 28\ndirect\n0.671047 0.000000 0.750000 Si\n0.328954 0.000000 0.250000 Si\n0.400123 0.504594 0.370744 Ni\n0.895529 0.495406 0.129257 Ni\n0.104471 0.504595 0.870744 Ni\n0.599877 0.495406 0.629257 Ni\n0.002119 0.251797 0.634659 P\n0.805848 0.274047 0.414508 P\n-0.002119 0.748204 0.365341 P\n0.531800 0.725953 0.085492 P\n0.249678 0.251797 0.134659 P\n0.468201 0.274048 0.914508 P\n0.750322 0.748204 0.865341 P\n0.194153 0.725953 0.585492 P\n0.909829 0.694622 0.634941 O\n0.685824 0.714801 0.382439 O\n0.733983 0.416621 0.955542 O\n0.184905 0.809874 0.483495 O\n0.784794 0.694622 0.134941 O\n0.317362 0.583380 0.544459 O\n0.897985 0.389339 0.706425 O\n0.458012 0.867773 0.170100 O\n0.818373 0.912432 0.826257 O\n0.375031 0.190126 0.016506 O\n0.682638 0.416621 0.455542 O\n0.491354 0.389339 0.206425 O\n0.314176 0.285200 0.617562 O\n0.094059 0.912431 0.326257 O\n0.215206 0.305378 0.865060 O\n0.624969 0.809874 0.983495 O\n0.508646 0.610661 0.793575 O\n0.541989 0.132228 0.829900 O\n0.102015 0.610661 0.293575 O\n0.409761 0.867773 0.670100 O\n0.590240 0.132227 0.329900 O\n0.028977 0.714801 0.882439 O\n0.971024 0.285199 0.117561 O\n0.181628 0.087569 0.173743 O\n0.815096 0.190127 0.516506 O\n0.905942 0.087569 0.673743 O\n0.090172 0.305378 0.365060 O\n0.266017 0.583379 0.044459 O\n",
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{
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"created_at": "2022-09-04T14:36:30.990765Z",
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"structure_string": "Rb2 Ga1 Hg1 F6\n1.0\n5.456645 0.000000 3.150395\n1.818882 5.144575 3.150395\n-0.000000 -0.000000 6.300790\nRb Ga Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Hg\n0.216168 0.216167 0.783833 F\n0.216168 0.783832 0.783834 F\n0.783833 0.783832 0.216169 F\n0.216168 0.783832 0.216168 F\n0.783833 0.216167 0.783833 F\n0.783833 0.216167 0.216168 F\n",
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{
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"created_at": "2022-09-04T14:36:46.085046Z",
"updated_at": "2022-09-04T14:36:46.085082Z",
"structure_string": "Ba2 Na4 Si4 O12\n1.0\n0.000000 5.735304 0.007988\n4.797819 0.000000 0.000000\n0.000000 -0.304633 -11.464334\nBa Na Si O\n2 4 4 12\ndirect\n0.251871 0.742289 0.096816 Ba\n0.748129 0.242289 0.903183 Ba\n0.181330 0.756007 0.485277 Na\n0.705195 0.753645 0.678938 Na\n0.818669 0.256007 0.514723 Na\n0.294805 0.253645 0.321062 Na\n0.222216 0.803713 0.804752 Si\n0.323422 0.296424 0.651739 Si\n0.777784 0.303712 0.195247 Si\n0.676578 0.796424 0.348260 Si\n0.176483 0.130277 0.756147 O\n0.224377 0.234366 0.521233 O\n0.601006 0.251021 0.677479 O\n0.012931 0.225799 0.127228 O\n0.823517 0.630277 0.243852 O\n0.398994 0.751021 0.322521 O\n0.460112 0.773153 0.883335 O\n0.775623 0.734366 0.478766 O\n0.746016 0.132307 0.321392 O\n0.253984 0.632307 0.678607 O\n0.987069 0.725799 0.872771 O\n0.539888 0.273153 0.116665 O\n",
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"structure_string": "Na2 Li4 As2 O8\n1.0\n5.070476 0.000000 0.000000\n0.000000 5.219138 0.000000\n0.000000 0.000000 7.032663\nNa Li As O\n2 4 2 8\ndirect\n0.521301 0.786375 0.000000 Na\n0.021300 0.213626 0.500000 Na\n0.508074 0.321743 0.250213 Li\n0.008073 0.678257 0.750212 Li\n0.508074 0.321743 0.749787 Li\n0.008073 0.678257 0.249787 Li\n0.499128 0.810778 0.500000 As\n0.999129 0.189223 0.000000 As\n0.063348 0.863468 0.000000 O\n0.660591 0.229893 0.000000 O\n0.563348 0.136532 0.500000 O\n0.160590 0.770108 0.500000 O\n0.129794 0.329720 0.199914 O\n0.629794 0.670280 0.300086 O\n0.629794 0.670280 0.699913 O\n0.129794 0.329720 0.800086 O\n",
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{
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"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n6.886229 -0.000000 0.000000\n-3.443115 5.963649 0.000000\n-0.000000 -0.000000 4.179709\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.336455 0.244601 0.500000 Tb\n0.908145 0.663545 0.500000 Tb\n0.755399 0.091854 0.500000 Tb\n0.344691 0.898324 -0.000000 Mn\n0.553633 0.655309 -0.000000 Mn\n0.101676 0.446367 -0.000000 Mn\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 -0.000000 Si\n",
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}