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{
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{
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{
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"structure_string": "Tm8 S8 O4\n1.0\n6.674507 0.000000 -1.149489\n0.000000 6.778449 0.000000\n0.009255 0.000000 8.148236\nTm S O\n8 8 4\ndirect\n0.175979 0.354033 0.424646 Tm\n0.824022 0.645967 0.575355 Tm\n0.675979 0.145967 0.424646 Tm\n0.251029 0.446216 0.861669 Tm\n0.248972 0.946216 0.138331 Tm\n0.748972 0.553784 0.138331 Tm\n0.751030 0.053784 0.861669 Tm\n0.324022 0.854033 0.575355 Tm\n0.419363 0.630593 0.317837 S\n0.080638 0.130593 0.682163 S\n0.580638 0.369407 0.682163 S\n0.969426 0.722016 0.924300 S\n0.530575 0.222016 0.075701 S\n0.030575 0.277984 0.075701 S\n0.469426 0.777984 0.924300 S\n0.919364 0.869407 0.317837 S\n0.650170 0.913152 0.616537 O\n0.849831 0.413152 0.383463 O\n0.349831 0.086848 0.383463 O\n0.150170 0.586848 0.616537 O\n",
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{
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"structure_string": "S16 N16 Cl8\n1.0\n6.470610 0.000000 0.000000\n0.000000 8.805918 -3.386086\n0.000000 -0.818129 13.193244\nS N Cl\n16 16 8\ndirect\n0.374184 0.046525 0.715468 S\n0.192986 0.326371 0.566731 S\n0.739189 0.637780 0.212247 S\n0.807014 0.673629 0.433268 S\n0.125816 0.046525 0.215468 S\n0.307014 0.326371 0.066731 S\n0.065427 0.733644 0.846964 S\n0.692986 0.673629 0.933268 S\n0.760811 0.637780 0.712247 S\n0.239189 0.362220 0.287753 S\n0.874184 0.953475 0.784531 S\n0.434573 0.733645 0.346964 S\n0.934573 0.266356 0.153035 S\n0.565427 0.266356 0.653035 S\n0.260811 0.362220 0.787753 S\n0.625816 0.953475 0.284531 S\n0.259178 0.200796 0.802295 N\n0.583607 0.748269 0.450616 N\n0.416393 0.251731 0.549383 N\n0.392968 0.352058 0.186385 N\n0.107032 0.352058 0.686385 N\n0.240822 0.200796 0.302295 N\n0.740822 0.799204 0.197705 N\n0.067580 0.896560 0.834087 N\n0.567579 0.103440 0.665913 N\n0.432420 0.896560 0.334087 N\n0.916393 0.748269 0.950616 N\n0.932420 0.103440 0.165913 N\n0.759178 0.799204 0.697704 N\n0.083607 0.251731 0.049383 N\n0.607032 0.647942 0.813615 N\n0.892968 0.647942 0.313615 N\n0.853298 0.050483 0.424263 Cl\n0.353298 0.949517 0.075737 Cl\n0.252128 0.584809 0.588266 Cl\n0.247872 0.584809 0.088266 Cl\n0.146702 0.949517 0.575736 Cl\n0.646702 0.050483 0.924263 Cl\n0.747872 0.415191 0.411733 Cl\n0.752128 0.415191 0.911733 Cl\n",
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{
"id": "jvasp-98060",
"created_at": "2022-09-04T14:36:16.312575Z",
"updated_at": "2022-09-04T14:36:16.312597Z",
"structure_string": "H20 N12 O12\n1.0\n5.540675 0.000000 0.000000\n0.000000 7.883562 -0.182753\n0.000000 0.138639 8.107022\nH N O\n20 12 12\ndirect\n0.572513 0.524081 0.187966 H\n0.481313 0.679627 0.739435 H\n0.427488 0.475919 0.812034 H\n0.701316 0.451773 0.365065 H\n0.981314 0.820373 0.760565 H\n0.792906 0.325999 0.038307 H\n0.298685 0.548227 0.634935 H\n0.972203 0.455309 0.146218 H\n0.518688 0.320373 0.260565 H\n0.798686 0.951773 0.865065 H\n0.072512 0.975918 0.312034 H\n0.527799 0.955309 0.646219 H\n0.292905 0.174001 0.461693 H\n0.207095 0.674001 0.961693 H\n0.027798 0.544691 0.853782 H\n0.707095 0.825999 0.538307 H\n0.201315 0.048227 0.134935 H\n0.018687 0.179627 0.239435 H\n0.472202 0.044691 0.353782 H\n0.927488 0.024081 0.687966 H\n0.646806 0.419120 0.245401 N\n0.844156 0.332957 0.631643 N\n0.655845 0.832957 0.131643 N\n0.646565 0.855291 0.654637 N\n0.146565 0.644708 0.845364 N\n0.146805 0.080880 0.254600 N\n0.155845 0.667043 0.368357 N\n0.853436 0.355291 0.154637 N\n0.344155 0.167043 0.868357 N\n0.853195 0.919120 0.745401 N\n0.353436 0.144708 0.345363 N\n0.353195 0.580880 0.754600 N\n0.372283 0.290865 0.967932 O\n0.234446 0.525490 0.420315 O\n0.895206 0.315800 0.783280 O\n0.627718 0.709135 0.032068 O\n0.765555 0.474510 0.579685 O\n0.104795 0.684199 0.216720 O\n0.265555 0.025490 0.920315 O\n0.395206 0.184200 0.716720 O\n0.604795 0.815800 0.283280 O\n0.127718 0.790864 0.467933 O\n0.872283 0.209135 0.532067 O\n0.734446 0.974510 0.079685 O\n",
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{
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"created_at": "2022-09-04T14:36:16.262879Z",
"updated_at": "2022-09-04T14:36:16.262905Z",
"structure_string": "Na4 Ni2 H16 S4 O24\n1.0\n5.388453 0.000000 -0.915951\n0.000000 8.097132 0.000000\n-0.005379 0.000000 11.006291\nNa Ni H S O\n4 2 16 4 24\ndirect\n0.878946 0.924315 0.636495 Na\n0.121053 0.424315 0.863505 Na\n0.121053 0.075685 0.363505 Na\n0.878946 0.575685 0.136495 Na\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.769327 0.556741 0.679981 H\n0.769327 0.943259 0.179981 H\n0.230672 0.443259 0.320019 H\n0.215363 0.859425 0.842286 H\n0.784636 0.359425 0.657714 H\n0.784636 0.140575 0.157714 H\n0.674158 0.192487 0.862459 H\n0.325842 0.692487 0.637541 H\n0.230672 0.056741 0.820019 H\n0.674158 0.307513 0.362459 H\n0.325842 0.807513 0.137541 H\n0.235766 0.778096 0.510806 H\n0.764233 0.278096 0.989194 H\n0.215363 0.640575 0.342286 H\n0.764233 0.221904 0.489194 H\n0.235766 0.721904 0.010806 H\n0.619186 0.714383 0.863606 S\n0.380813 0.214384 0.636394 S\n0.380813 0.285616 0.136394 S\n0.619186 0.785616 0.363606 S\n0.353865 0.672469 0.870256 O\n0.637944 0.730368 0.729583 O\n0.362055 0.230368 0.770417 O\n0.362055 0.269632 0.270417 O\n0.637944 0.769632 0.229583 O\n0.785709 0.583684 0.920634 O\n0.214290 0.083684 0.579366 O\n0.214290 0.416316 0.079366 O\n0.785710 0.916316 0.420634 O\n0.673435 0.874983 0.927780 O\n0.326564 0.374983 0.572220 O\n0.173224 0.785324 0.076728 O\n0.826776 0.285324 0.423272 O\n0.826776 0.214676 0.923272 O\n0.173224 0.714676 0.576728 O\n0.117465 0.535625 0.334927 O\n0.882534 0.035625 0.165073 O\n0.882534 0.464375 0.665073 O\n0.117465 0.964375 0.834927 O\n0.353865 0.827530 0.370256 O\n0.326564 0.125017 0.072220 O\n0.646134 0.172469 0.629744 O\n0.673435 0.625017 0.427780 O\n0.646134 0.327531 0.129744 O\n",
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{
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842615 0.003450\n7.642579 0.000000 0.000000\n0.000000 -0.031377 -9.706487\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991979 0.393731 0.836442 Ca\n0.008019 0.893731 0.663558 Ca\n0.008019 0.606269 0.163558 Ca\n0.991980 0.106269 0.336442 Ca\n0.529260 0.732421 0.915934 Si\n0.470738 0.232421 0.584066 Si\n0.470738 0.267579 0.084066 Si\n0.529261 0.767579 0.415934 Si\n0.428421 0.911365 0.159023 B\n0.571578 0.411365 0.340977 B\n0.571577 0.088635 0.840977 B\n0.428421 0.588635 0.659023 B\n0.810012 0.535144 0.577359 H\n0.189986 0.035144 0.922642 H\n0.810013 0.964856 0.077359 H\n0.189986 0.464856 0.422641 H\n0.678301 0.335258 0.211208 O\n0.261009 0.413738 0.336691 O\n0.738989 0.913738 0.163309 O\n0.687375 0.588991 0.354287 O\n0.312623 0.088991 0.145713 O\n0.312623 0.411009 0.645713 O\n0.687375 0.911009 0.854287 O\n0.321698 0.835258 0.288792 O\n0.678301 0.164742 0.711208 O\n0.241713 0.095458 0.535989 O\n0.325913 0.697575 0.542354 O\n0.674085 0.197575 0.957646 O\n0.674086 0.302425 0.457646 O\n0.325913 0.802425 0.042354 O\n0.758285 0.904542 0.464011 O\n0.241713 0.404542 0.035989 O\n0.261009 0.086262 0.836691 O\n0.758285 0.595458 0.964012 O\n0.321697 0.664742 0.788792 O\n0.738989 0.586262 0.663309 O\n",
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{
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"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
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{
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"structure_string": "Ca4 Te8 O20\n1.0\n0.000000 9.419572 0.113045\n5.693558 0.000000 0.000000\n0.000000 -4.638447 -10.145689\nCa Te O\n4 8 20\ndirect\n0.018947 0.199024 0.640015 Ca\n0.981053 0.699024 0.859986 Ca\n0.981053 0.800976 0.359986 Ca\n0.018947 0.300976 0.140015 Ca\n0.348218 0.151201 0.989785 Te\n0.651781 0.848799 0.010216 Te\n0.348219 0.348799 0.489785 Te\n0.651781 0.651201 0.510216 Te\n0.732529 0.175778 0.775111 Te\n0.732529 0.324222 0.275111 Te\n0.267471 0.824222 0.224890 Te\n0.267471 0.675778 0.724890 Te\n0.771507 0.897083 0.896675 O\n0.886085 0.348084 0.911765 O\n0.113915 0.848084 0.588235 O\n0.150520 0.001905 0.295450 O\n0.849480 0.501905 0.204551 O\n0.849480 -0.001905 0.704551 O\n0.150520 0.498096 0.795450 O\n0.228493 0.397083 0.603325 O\n0.771507 0.602918 0.396675 O\n0.478580 0.606647 0.593314 O\n0.198958 0.974810 0.847500 O\n0.801041 0.474810 0.652500 O\n0.801042 0.025190 0.152500 O\n0.198958 0.525190 0.347500 O\n0.886085 0.151916 0.411765 O\n0.521420 0.106647 0.906687 O\n0.521420 0.393353 0.406687 O\n0.478580 0.893353 0.093314 O\n0.228493 0.102917 0.103325 O\n0.113915 0.651917 0.088235 O\n",
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