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{
"id": "jvasp-9766",
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"structure_string": "Na4 Ti2 Si2 O10\n1.0\n6.520555 -0.000000 0.000000\n0.000000 6.520555 0.000000\n0.000000 -0.000000 5.110434\nNa Ti Si O\n4 2 2 10\ndirect\n0.749999 0.749999 0.500000 Na\n0.250000 0.749999 0.500000 Na\n0.749999 0.250000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.500000 0.000000 0.065473 Ti\n0.000000 0.500000 0.934526 Ti\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.292445 0.500000 0.815690 O\n0.000000 0.792445 0.815690 O\n0.500000 0.707554 0.184309 O\n0.500000 0.292445 0.184309 O\n0.500000 0.000000 0.727393 O\n0.792445 0.000000 0.184309 O\n0.000000 0.500000 0.272606 O\n0.000000 0.207554 0.815690 O\n0.207554 0.000000 0.184309 O\n0.707554 0.500000 0.815690 O\n",
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{
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"updated_at": "2022-09-04T14:37:56.891210Z",
"structure_string": "Al12 Re1\n1.0\n6.184212 -0.000000 -2.186450\n-3.092107 5.355685 -2.186450\n-0.000000 -0.000000 6.559348\nAl Re\n12 1\ndirect\n0.496713 0.307465 0.189247 Al\n0.307464 0.810752 0.118218 Al\n0.189246 0.881781 0.692534 Al\n0.692534 0.810752 0.503286 Al\n0.810753 0.118218 0.307465 Al\n0.692534 0.189247 0.881782 Al\n0.810752 0.503286 0.692535 Al\n0.189246 0.496713 0.307465 Al\n0.307465 0.189247 0.496713 Al\n0.118218 0.307465 0.810753 Al\n0.881781 0.692534 0.189246 Al\n0.503286 0.692534 0.810753 Al\n0.000000 0.000000 0.000000 Re\n",
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{
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"created_at": "2022-09-04T14:38:00.153565Z",
"updated_at": "2022-09-04T14:38:00.153589Z",
"structure_string": "Ti12 O4\n1.0\n2.570166 -4.451658 0.000000\n2.570166 4.451658 0.000000\n-0.000000 0.000000 9.493845\nTi O\n12 4\ndirect\n0.671379 0.666377 0.617024 Ti\n0.333624 0.005001 0.617024 Ti\n0.666377 0.671379 0.117024 Ti\n0.005001 0.333624 0.117024 Ti\n0.328623 0.995000 0.117024 Ti\n0.005002 0.671378 0.382976 Ti\n0.328623 0.333624 0.382976 Ti\n0.666378 0.995000 0.382976 Ti\n0.995000 0.328623 0.617024 Ti\n0.671378 0.005002 0.882977 Ti\n0.995000 0.666378 0.882977 Ti\n0.333624 0.328623 0.882977 Ti\n0.333334 0.666668 0.250000 O\n0.666668 0.333334 0.750000 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 16,
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{
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"structure_string": "Ba3 P2\n1.0\n6.011464 -0.000000 0.000000\n-0.000000 6.011464 0.000000\n-0.000000 -0.000000 6.011464\nBa P\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n",
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{
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"created_at": "2022-09-04T14:38:51.026999Z",
"updated_at": "2022-09-04T14:38:51.027029Z",
"structure_string": "Li6 Cr2 Cl2 O8\n1.0\n6.734423 -0.000000 0.000000\n0.000000 6.734423 0.000000\n-0.000000 -0.000000 4.789999\nLi Cr Cl O\n6 2 2 8\ndirect\n0.500000 0.000000 0.156141 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n-0.000000 0.500000 0.843859 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.322447 Cl\n0.500000 0.000000 0.677553 Cl\n0.196453 0.000000 0.210373 O\n0.803547 0.000000 0.210373 O\n-0.000000 0.196453 0.789627 O\n0.500000 0.303547 0.210373 O\n0.303547 0.500000 0.789627 O\n0.696452 0.500000 0.789627 O\n0.500000 0.696452 0.210373 O\n-0.000000 0.803547 0.789627 O\n",
"nsites": 18,
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"formula_full": "Li6 Cr2 Cl2 O8",
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{
"id": "jvasp-24348",
"created_at": "2022-09-04T14:38:27.610641Z",
"updated_at": "2022-09-04T14:38:27.610671Z",
"structure_string": "Li2 Ca2 Ni2 F12\n1.0\n2.531000 -4.383820 -0.000000\n2.531000 4.383820 -0.000000\n0.000000 -0.000000 9.789304\nLi Ca Ni F\n2 2 2 12\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.016886 0.368560 0.359701 F\n0.368560 0.016886 0.859701 F\n0.631440 0.648326 0.359701 F\n0.016886 0.648325 0.140299 F\n0.631440 0.983114 0.140299 F\n0.368560 0.351675 0.640298 F\n0.648325 0.016886 0.640298 F\n0.648326 0.631440 0.859701 F\n0.983114 0.631440 0.640298 F\n0.351675 0.368560 0.140299 F\n0.351675 0.983114 0.359701 F\n0.983114 0.351675 0.859701 F\n",
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{
"id": "jvasp-101977",
"created_at": "2022-09-04T14:37:51.074103Z",
"updated_at": "2022-09-04T14:37:51.074120Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.977387 -0.073103 -0.193621\n-0.907975 4.232406 -0.080124\n-0.199501 0.042410 12.963957\nH Pb C O\n12 1 8 4\ndirect\n0.492461 0.221651 0.544822 H\n0.056109 0.129802 0.577075 H\n0.028759 0.148230 0.163149 H\n0.599813 0.080143 0.200528 H\n0.403367 0.705009 0.453029 H\n0.256245 0.180788 0.353365 H\n0.173917 0.672430 0.261871 H\n0.747195 0.604318 0.300194 H\n0.947298 0.655253 0.076474 H\n0.510986 0.563634 0.108758 H\n0.974394 0.636731 0.490386 H\n0.829489 0.112573 0.391663 H\n0.001636 0.892598 0.826785 Pb\n0.380417 0.528910 0.659790 C\n0.273819 0.326969 0.562037 C\n0.177921 0.515795 0.469693 C\n0.052775 0.303018 0.373485 C\n0.950604 0.482030 0.280062 C\n0.825331 0.269273 0.183857 C\n0.729510 0.458177 0.091523 C\n0.622712 0.256295 0.993769 C\n0.229462 0.439423 0.743080 O\n0.611096 0.784032 0.657892 O\n0.773438 0.345824 0.910446 O\n0.392057 0.001160 -0.004308 O\n",
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{
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"structure_string": "In6 Hg2\n1.0\n6.693605 -0.000000 0.000000\n-3.346803 5.796832 0.000000\n0.000000 0.000000 5.598259\nIn Hg\n6 2\ndirect\n0.167817 0.335633 0.250000 In\n0.664367 0.832183 0.250000 In\n0.167817 0.832183 0.250000 In\n0.832184 0.664367 0.750000 In\n0.335633 0.167817 0.750000 In\n0.832184 0.167817 0.750000 In\n0.333334 0.666666 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
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{
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"structure_string": "Mn20\n1.0\n6.011245 -0.000000 -0.000000\n-0.000000 6.011245 -0.000000\n-0.000000 -0.000000 6.011245\nMn\n20\ndirect\n0.052498 0.052498 0.052498 Mn\n0.552960 0.625001 0.302960 Mn\n0.947041 0.375000 0.802960 Mn\n0.302960 0.552960 0.625001 Mn\n0.447041 0.125000 0.197041 Mn\n0.052960 0.875001 0.697041 Mn\n0.802960 0.947041 0.375000 Mn\n0.197041 0.447041 0.125000 Mn\n0.875001 0.697041 0.052960 Mn\n0.375000 0.802960 0.947041 Mn\n0.125000 0.197041 0.447041 Mn\n0.697502 0.697502 0.697502 Mn\n0.947503 0.552499 0.447502 Mn\n0.552499 0.447502 0.947503 Mn\n0.447502 0.947503 0.552499 Mn\n0.197502 0.802499 0.302498 Mn\n0.802499 0.302498 0.197502 Mn\n0.302498 0.197502 0.802499 Mn\n0.697041 0.052960 0.875001 Mn\n0.625001 0.302960 0.552960 Mn\n",
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{
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"structure_string": "La2 B4 Cl2 O8\n1.0\n4.257664 0.001656 0.055199\n2.035360 6.257138 0.908575\n-0.001792 0.001461 8.154298\nLa B Cl O\n2 4 2 8\ndirect\n0.213967 0.030638 0.222506 La\n0.786033 0.969363 0.777494 La\n0.166131 0.350616 0.853124 B\n0.437431 0.436238 0.193654 B\n0.833868 0.649385 0.146875 B\n0.562568 0.563763 0.806346 B\n0.145245 0.205318 0.541713 Cl\n0.854754 0.794683 0.458286 Cl\n0.900185 0.536031 0.823893 O\n0.477249 0.375686 0.818774 O\n0.635213 0.235332 0.209418 O\n0.522750 0.624315 0.181226 O\n0.364786 0.764668 0.790581 O\n0.099814 0.463969 0.176106 O\n0.838081 0.845402 0.079647 O\n0.161918 0.154598 0.920353 O\n",
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{
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"created_at": "2022-09-04T14:35:55.840285Z",
"updated_at": "2022-09-04T14:35:55.840307Z",
"structure_string": "Ba4 Sb1 Ir1\n1.0\n-0.000000 4.770982 4.770982\n4.770982 0.000000 4.770982\n4.770982 4.770982 -0.000000\nBa Sb Ir\n4 1 1\ndirect\n0.126092 0.624636 0.624636 Ba\n0.624636 0.624636 0.624636 Ba\n0.624636 0.126092 0.624636 Ba\n0.624636 0.624636 0.126092 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ir\n",
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]
}