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{
"id": "jvasp-55022",
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{
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"structure_string": "Mg2 Mn4 S8\n1.0\n6.430748 -0.000000 -3.376225\n-1.772561 6.181631 -3.376225\n-0.297823 -0.395225 7.245218\nMg Mn S\n2 4 8\ndirect\n0.375001 0.625001 0.750002 Mg\n0.625000 0.375000 0.250001 Mg\n0.000000 0.000000 0.500001 Mn\n0.000000 0.500000 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.761505 0.784585 0.523010 S\n0.761578 0.238497 0.976994 S\n0.215417 0.238497 0.976994 S\n0.238497 0.215416 0.476993 S\n0.238497 0.761578 0.476993 S\n0.238423 0.761504 0.023009 S\n0.761505 0.238423 0.523009 S\n0.784585 0.761504 0.023009 S\n",
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{
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"structure_string": "Nb4 Se8\n1.0\n3.497786 0.000000 0.000000\n-1.748893 3.018857 0.000000\n0.000000 0.000000 25.650955\nNb Se\n4 8\ndirect\n0.250180 0.000286 0.376630 Nb\n0.249893 -0.000286 0.623370 Nb\n0.749821 -0.000286 0.876630 Nb\n0.750108 0.000286 0.123370 Nb\n0.084156 0.668414 0.189044 Se\n0.415743 0.331587 0.810957 Se\n0.916364 0.332686 0.557984 Se\n0.416324 0.332686 0.942016 Se\n0.584259 0.668414 0.310956 Se\n0.083639 0.667315 0.057984 Se\n0.915846 0.331587 0.689044 Se\n0.583678 0.667315 0.442016 Se\n",
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{
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"structure_string": "Na10 Co2 O8\n1.0\n5.889199 0.000000 0.000000\n0.000000 6.049138 0.000000\n0.000000 0.000000 7.603227\nNa Co O\n10 2 8\ndirect\n0.929812 0.065491 0.315735 Na\n0.247532 0.386286 0.199013 Na\n0.247532 0.386286 0.800988 Na\n0.429812 0.934509 0.184265 Na\n0.429812 0.934509 0.815735 Na\n0.249570 0.670344 0.500000 Na\n0.747532 0.613715 0.300987 Na\n0.747532 0.613715 0.699013 Na\n0.929812 0.065491 0.684265 Na\n0.749570 0.329657 0.000000 Na\n0.996171 0.823537 0.000000 Co\n0.496171 0.176464 0.500000 Co\n0.102980 0.729212 0.776804 O\n0.686087 0.745896 0.000000 O\n0.599567 0.871731 0.500000 O\n0.602980 0.270788 0.276804 O\n0.602980 0.270788 0.723196 O\n0.186087 0.254104 0.500000 O\n0.099567 0.128270 0.000000 O\n0.102980 0.729212 0.223196 O\n",
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{
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"structure_string": "Hf4 Zr4 O16\n1.0\n7.203222 0.004046 -0.000204\n-0.004103 7.203110 -0.001064\n-3.599618 -3.602956 5.221084\nHf Zr O\n4 4 16\ndirect\n0.864592 0.623321 0.742580 Hf\n0.364183 0.123764 0.242588 Hf\n0.865059 0.123751 0.242565 Hf\n0.864594 0.124214 0.742586 Hf\n0.866256 0.624993 0.245043 Zr\n0.365817 0.125432 0.745035 Zr\n0.365821 0.624566 0.745040 Zr\n0.365386 0.624986 0.245030 Zr\n0.212609 0.726049 0.942285 O\n0.766892 0.276241 0.547533 O\n0.517454 0.026681 0.048305 O\n0.716266 0.221278 0.942280 O\n0.264897 0.774210 0.543462 O\n0.961912 0.471782 0.442283 O\n0.014593 0.523831 0.042607 O\n0.515027 0.524261 0.043472 O\n0.767334 0.776626 0.548295 O\n0.017069 0.026290 0.047531 O\n0.466686 0.975445 0.442284 O\n0.716269 0.726053 0.942288 O\n0.264469 0.273789 0.542611 O\n0.961923 0.975462 0.442285 O\n0.212605 0.221278 0.942279 O\n0.466693 0.471797 0.442280 O\n",
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{
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"created_at": "2022-09-04T14:38:50.830319Z",
"updated_at": "2022-09-04T14:38:50.830338Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n5.058270 -0.069523 -0.943272\n1.219624 4.909512 0.943318\n-0.021264 0.027361 10.880660\nLi Mn O F\n4 4 2 12\ndirect\n0.432597 0.910907 0.709393 Li\n0.089095 0.567406 0.209393 Li\n0.109479 0.484754 0.801882 Li\n0.515247 0.890518 0.301884 Li\n0.085655 0.587844 0.499582 Mn\n0.678542 0.420159 0.940283 Mn\n0.412154 0.914347 0.999583 Mn\n0.579838 0.321457 0.440284 Mn\n0.345453 0.648014 0.918559 O\n0.351986 0.654548 0.418559 O\n0.858824 0.554698 0.341402 F\n0.356518 0.251620 0.293848 F\n0.018835 0.191847 0.946389 F\n0.356915 0.180780 0.562844 F\n0.445301 0.141175 0.841402 F\n0.219165 0.666360 0.657734 F\n0.333639 0.780836 0.157734 F\n0.748377 0.643480 0.793847 F\n0.839419 0.404413 0.578086 F\n0.819221 0.643089 0.062844 F\n0.595587 0.160586 0.078086 F\n0.808152 -0.018836 0.446389 F\n",
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{
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"structure_string": "K4 Si2 P4\n1.0\n5.667968 0.000000 -2.364873\n-1.233026 6.027516 -2.955232\n-0.020039 0.017951 7.926708\nK Si P\n4 2 4\ndirect\n0.146397 0.987795 0.292794 K\n0.853603 0.012206 0.707207 K\n0.353602 0.695001 0.707207 K\n0.646397 0.305000 0.292794 K\n0.750000 0.500000 0.000001 Si\n0.250000 0.500000 0.000000 Si\n0.597837 0.765276 0.195676 P\n0.902162 0.569600 0.804326 P\n0.097837 0.430400 0.195675 P\n0.402162 0.234725 0.804325 P\n",
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{
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"structure_string": "Fe8 O6 F10\n1.0\n4.711825 -0.043531 -0.049577\n-0.147095 7.644326 0.131065\n-0.098119 -1.938391 7.489879\nFe O F\n8 6 10\ndirect\n0.555959 0.867335 0.641670 Fe\n0.444043 0.132666 0.358329 Fe\n0.510110 0.623626 0.897074 Fe\n0.489892 0.376375 0.102925 Fe\n0.000000 0.500000 0.500000 Fe\n0.041494 0.256794 0.734590 Fe\n0.000000 0.000000 0.000000 Fe\n0.958508 0.743207 0.265409 Fe\n0.799238 0.717738 0.483188 O\n0.702500 0.833433 0.868023 O\n0.698255 0.592934 0.099506 O\n0.301747 0.407066 0.900494 O\n0.200764 0.282262 0.516811 O\n0.297502 0.166567 0.131976 O\n0.781091 0.463782 0.713940 F\n0.208494 0.017077 0.765139 F\n0.218911 0.536219 0.286059 F\n0.196870 0.784405 0.052794 F\n0.291992 0.652195 0.680105 F\n0.297430 0.900117 0.408518 F\n0.708010 0.347806 0.319894 F\n0.702572 0.099883 0.591481 F\n0.791508 0.982924 0.234860 F\n0.803132 0.215596 0.947205 F\n",
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{
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"structure_string": "Tc4 O12 F4\n1.0\n5.085285 0.000000 0.000000\n0.000000 5.723484 -0.351561\n0.000000 -0.051251 9.310442\nTc O F\n4 12 4\ndirect\n0.082444 0.675943 0.360852 Tc\n0.917557 0.324057 0.639148 Tc\n0.417556 0.675943 0.860852 Tc\n0.582445 0.324057 0.139148 Tc\n0.078834 0.092540 0.696296 O\n0.774593 0.460531 0.791750 O\n0.921166 0.907459 0.303703 O\n0.659324 0.210929 0.546956 O\n0.421166 0.092540 0.196296 O\n0.840678 0.210929 0.046956 O\n0.225408 0.539468 0.208250 O\n0.340677 0.789070 0.453044 O\n0.578835 0.907459 0.803703 O\n0.274593 0.539468 0.708250 O\n0.725408 0.460531 0.291750 O\n0.159323 0.789070 0.953044 O\n0.637400 0.659626 0.043721 F\n0.362601 0.340373 0.956278 F\n0.137400 0.340373 0.456279 F\n0.862601 0.659626 0.543721 F\n",
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}