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{
"id": "jvasp-117287",
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"structure_string": "Li4 V4 Si4 O16\n1.0\n5.556827 -0.000335 0.000155\n0.000520 7.498127 -2.554075\n-0.000244 -0.501815 7.816792\nLi V Si O\n4 4 4 16\ndirect\n0.833424 0.972410 0.076309 Li\n0.166577 0.972409 0.576307 Li\n0.338703 0.528870 0.337530 Li\n0.661299 0.528870 0.837530 Li\n0.665172 0.831195 0.648222 V\n0.843748 0.405701 0.442512 V\n0.334829 0.831194 0.148221 V\n0.156255 0.405700 0.942511 V\n0.162987 0.733761 0.790761 Si\n0.837014 0.733761 0.290762 Si\n0.347007 0.244251 0.524780 Si\n0.652995 0.244249 0.024780 Si\n0.818109 0.379300 0.956002 O\n0.181894 0.379300 0.456002 O\n0.306469 0.597335 0.874897 O\n0.693533 0.597335 0.374898 O\n0.228704 0.223279 0.708267 O\n0.771298 0.223280 0.208267 O\n0.887794 0.662596 0.713929 O\n0.850701 0.914000 0.487546 O\n0.318592 0.773593 0.632367 O\n0.681409 0.773592 0.132368 O\n0.611662 0.342083 0.581016 O\n0.388340 0.342082 0.081016 O\n0.340079 0.030440 0.379674 O\n0.149300 0.913999 -0.012455 O\n0.112207 0.662596 0.213929 O\n0.659922 0.030440 0.879675 O\n",
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"structure_string": "K4 B4 F16\n1.0\n5.389279 0.000000 0.000000\n0.000000 6.934380 0.000000\n0.000000 0.000000 8.524230\nK B F\n4 4 16\ndirect\n0.250000 0.161448 0.181709 K\n0.750000 0.661448 0.318291 K\n0.250000 0.338552 0.681709 K\n0.750000 0.838552 0.818291 K\n0.250000 0.688699 0.067475 B\n0.250000 0.811301 0.567475 B\n0.750000 0.188699 0.432525 B\n0.750000 0.311301 0.932525 B\n0.964078 0.191746 0.921100 F\n0.464078 0.691746 0.578900 F\n0.964078 0.308254 0.421100 F\n0.535922 0.191746 0.921100 F\n0.035922 0.808254 0.078900 F\n0.250000 0.943838 0.693595 F\n0.750000 0.056162 0.306405 F\n0.750000 0.443838 0.806405 F\n0.250000 0.556162 0.193595 F\n0.750000 0.092374 0.577789 F\n0.750000 0.407626 0.077789 F\n0.250000 0.592374 0.922211 F\n0.035922 0.691746 0.578900 F\n0.464078 0.808254 0.078900 F\n0.535922 0.308254 0.421100 F\n0.250000 0.907626 0.422211 F\n",
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{
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"created_at": "2022-09-04T14:36:54.824392Z",
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"structure_string": "Rb3 Bi1 F6\n1.0\n6.825157 -0.076407 -2.249971\n-2.500536 6.547437 -1.591114\n0.278220 -0.297276 7.175856\nRb Bi F\n3 1 6\ndirect\n-0.000000 0.500000 0.000000 Rb\n0.500000 -0.000000 0.000000 Rb\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.057456 0.761714 0.761699 F\n0.942544 0.238286 0.238302 F\n0.761878 0.761856 0.057315 F\n0.238122 0.238144 0.942686 F\n0.761278 0.057722 0.761313 F\n0.238722 0.942278 0.238688 F\n",
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{
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"created_at": "2022-09-04T14:37:30.038220Z",
"updated_at": "2022-09-04T14:37:30.038243Z",
"structure_string": "Mo4 Se4 S4\n1.0\n3.256783 0.000005 -0.000085\n-1.628388 2.820503 -0.000052\n-0.000901 -0.001368 34.673401\nMo Se S\n4 4 4\ndirect\n0.333309 0.666656 0.094797 Mo\n0.333351 0.666698 0.471703 Mo\n0.666647 0.333302 0.279756 Mo\n0.666690 0.333344 0.656662 Mo\n0.333366 0.666689 0.328749 Se\n0.666632 0.333311 0.422709 Se\n0.666725 0.333394 0.520681 Se\n0.333274 0.666606 0.230777 Se\n0.333390 0.666688 0.701214 S\n0.666609 0.333312 0.050244 S\n0.666673 0.333332 0.139406 S\n0.333325 0.666668 0.612052 S\n",
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{
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"created_at": "2022-09-04T14:38:38.339393Z",
"updated_at": "2022-09-04T14:38:38.339403Z",
"structure_string": "Rb2 Na1 Mo1 Br6\n1.0\n6.638464 0.000000 3.832719\n2.212821 6.258803 3.832719\n-0.000000 -0.000000 7.665437\nRb Na Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Mo\n0.760737 0.239262 0.239263 Br\n0.239262 0.239262 0.760738 Br\n0.239262 0.760737 0.760738 Br\n0.239262 0.760737 0.239263 Br\n0.760737 0.239262 0.760738 Br\n0.760737 0.760737 0.239263 Br\n",
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{
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"created_at": "2022-09-04T14:36:55.750614Z",
"updated_at": "2022-09-04T14:36:55.750632Z",
"structure_string": "K2 Ag1 As1 Br6\n1.0\n6.638407 -0.000000 3.832686\n2.212802 6.258751 3.832686\n-0.000000 -0.000000 7.665373\nK Ag As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.754460 0.245540 0.245540 Br\n0.245540 0.245540 0.754460 Br\n0.245540 0.754460 0.754461 Br\n0.245540 0.754460 0.245540 Br\n0.754460 0.245540 0.754460 Br\n0.754460 0.754460 0.245540 Br\n",
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{
"id": "jvasp-43199",
"created_at": "2022-09-04T14:37:46.393527Z",
"updated_at": "2022-09-04T14:37:46.393550Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n4.931920 0.000000 0.000000\n-0.000000 6.162467 0.000000\n0.000000 0.000000 10.478681\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.977085 0.250000 0.728616 Mn\n0.522915 0.250000 0.228616 Mn\n0.477085 0.750000 0.771384 Mn\n0.022915 0.750000 0.271384 Mn\n0.574641 0.750000 0.088977 V\n0.925360 0.750000 0.588977 V\n0.074641 0.250000 0.411023 V\n0.425360 0.250000 0.911022 V\n0.220497 0.750000 0.093990 O\n0.279503 0.750000 0.593990 O\n0.709639 0.750000 0.936083 O\n0.790361 0.750000 0.436083 O\n0.775078 0.526079 0.664034 O\n0.724922 0.526079 0.164034 O\n0.224922 0.473922 0.335966 O\n0.224922 0.026079 0.335966 O\n0.290361 0.250000 0.063917 O\n0.720497 0.250000 0.406009 O\n0.779503 0.250000 0.906009 O\n0.209639 0.250000 0.563917 O\n0.775078 0.973922 0.664034 O\n0.275078 0.026079 0.835966 O\n0.275078 0.473922 0.835966 O\n0.724922 0.973922 0.164034 O\n",
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{
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"structure_string": "Y8 C14\n1.0\n0.000000 3.708710 -0.002145\n13.737573 0.000000 0.000000\n0.000000 -1.640329 -6.249488\nY C\n8 14\ndirect\n0.366244 0.944564 0.738764 Y\n0.633756 0.444564 0.761237 Y\n0.633756 0.055435 0.261237 Y\n0.366244 0.555435 0.238764 Y\n0.056536 0.662785 0.661427 Y\n0.943464 0.162785 0.838574 Y\n0.943464 0.337215 0.338574 Y\n0.056536 0.837215 0.161427 Y\n0.266639 0.104647 0.549313 C\n0.733361 0.604647 0.950688 C\n0.733361 0.895353 0.450688 C\n0.266639 0.395353 0.049313 C\n0.622791 0.696555 0.954180 C\n0.377209 0.196555 0.545821 C\n0.469493 0.783940 0.923714 C\n0.530507 0.216059 0.076287 C\n0.530507 0.283940 0.576287 C\n0.377209 0.303445 0.045821 C\n0.000000 0.000000 0.000000 C\n-0.000000 0.500000 0.500000 C\n0.469493 0.716059 0.423714 C\n0.622792 0.803445 0.454180 C\n",
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"structure_string": "Na4 C12 O12\n1.0\n6.605506 0.065953 -1.920671\n-3.017402 5.876423 -1.920671\n-0.006723 -0.011134 8.169239\nNa C O\n4 12 12\ndirect\n0.228978 0.771022 0.250000 Na\n0.478979 0.521022 0.750000 Na\n0.771023 0.228978 0.750000 Na\n0.521022 0.478978 0.250000 Na\n0.021611 0.771610 0.543221 C\n0.022744 0.759733 0.852810 C\n0.093077 0.330066 0.352810 C\n0.977257 0.240267 0.147191 C\n0.669934 0.906922 0.147191 C\n0.771610 0.021610 0.043220 C\n0.240268 0.977256 0.647191 C\n0.330067 0.093077 0.852810 C\n0.759733 0.022743 0.352810 C\n0.906924 0.669934 0.647191 C\n0.228391 0.978390 0.956780 C\n0.978391 0.228390 0.456780 C\n0.500229 0.716618 0.061885 O\n0.938345 0.654733 0.938115 O\n0.683650 0.933649 0.867299 O\n0.499772 0.283382 0.938115 O\n0.654734 0.938343 0.438115 O\n0.716619 0.500229 0.561885 O\n0.283382 0.499771 0.438115 O\n0.066351 0.316351 0.632702 O\n0.345268 0.061657 0.561885 O\n0.061657 0.345267 0.061885 O\n0.933650 0.683649 0.367298 O\n0.316351 0.066351 0.132702 O\n",
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"structure_string": "Nb4 I4 O8\n1.0\n3.819500 -0.000000 0.000000\n0.000000 3.962279 0.000000\n0.000000 0.000000 21.041706\nNb I O\n4 4 8\ndirect\n0.250000 0.542566 0.932871 Nb\n0.750000 0.042566 0.567129 Nb\n0.750000 0.457434 0.067129 Nb\n0.250000 0.957434 0.432871 Nb\n0.250000 0.996869 0.675723 I\n0.750000 0.003131 0.324277 I\n0.250000 0.503131 0.175723 I\n0.750000 0.496869 0.824277 I\n0.250000 0.494848 0.425844 O\n0.750000 0.505152 0.574156 O\n0.250000 0.005152 0.925845 O\n0.750000 0.005658 0.467681 O\n0.250000 0.994342 0.532319 O\n0.250000 0.505658 0.032319 O\n0.750000 0.994849 0.074156 O\n0.750000 0.494342 0.967681 O\n",
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{
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"structure_string": "Na4 Ca2 P4 O14\n1.0\n5.422774 -0.002673 -0.001068\n0.133083 7.075323 0.056314\n0.131904 3.160811 8.324604\nNa Ca P O\n4 2 4 14\ndirect\n0.237637 0.868550 0.552900 Na\n0.726172 0.213821 0.013019 Na\n0.762361 0.131450 0.447099 Na\n0.273826 0.786179 0.986980 Na\n0.236588 0.246447 0.717784 Ca\n0.763410 0.753553 0.282214 Ca\n0.244194 0.119809 0.171462 P\n0.755804 0.880191 0.828537 P\n0.290070 0.429734 0.311869 P\n0.709928 0.570267 0.688130 P\n0.285055 0.131145 -0.001793 O\n0.273342 0.356922 0.155638 O\n0.982074 0.059768 0.233267 O\n0.843897 0.365589 0.748316 O\n0.565792 0.447175 0.337364 O\n0.834829 0.733143 0.545650 O\n0.714943 0.868855 0.001792 O\n0.017924 0.940232 0.766732 O\n0.726656 0.643078 0.844360 O\n0.156101 0.634411 0.251683 O\n0.447429 0.000074 0.286539 O\n0.552570 -0.000073 0.713460 O\n0.434206 0.552826 0.662634 O\n0.165169 0.266857 0.454349 O\n",
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{
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"created_at": "2022-09-04T14:37:55.866269Z",
"updated_at": "2022-09-04T14:37:55.866292Z",
"structure_string": "Cd2 Hg4 Se2 O12\n1.0\n6.994555 0.010564 0.054941\n3.187031 6.551788 -0.019383\n2.858649 0.883143 6.969537\nCd Hg Se O\n2 4 2 12\ndirect\n0.332567 0.135549 0.212915 Cd\n0.667434 0.864450 0.787086 Cd\n0.841591 0.642138 0.209869 Hg\n0.158410 0.357861 0.790132 Hg\n0.660938 0.360623 0.791027 Hg\n0.339063 0.639376 0.208973 Hg\n0.796835 0.132142 0.311243 Se\n0.203165 0.867857 0.688757 Se\n0.853573 0.524668 0.748835 O\n0.365091 0.791619 0.831119 O\n0.549342 0.800618 0.136938 O\n0.223634 0.083650 0.546666 O\n0.146428 0.475332 0.251166 O\n0.450658 0.199381 0.863062 O\n0.776367 0.916349 0.453334 O\n0.938379 0.924024 0.836353 O\n0.720208 0.323251 0.434520 O\n0.634910 0.208380 0.168882 O\n0.279793 0.676748 0.565480 O\n0.061621 0.075975 0.163647 O\n",
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}
]
}