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{
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"structure_string": "Lu4 Si10 Ir6\n1.0\n5.417308 -0.000000 2.063340\n2.370209 7.510427 1.920259\n0.014101 -0.025067 8.106230\nLu Si Ir\n4 10 6\ndirect\n0.631513 0.096046 0.640929 Lu\n0.368487 0.903954 0.359071 Lu\n0.868487 0.359071 0.903954 Lu\n0.131513 0.640929 0.096046 Lu\n0.750000 -0.000000 -0.000000 Si\n0.024222 0.725778 0.725778 Si\n0.394865 0.448776 0.761494 Si\n0.105135 0.238506 0.551224 Si\n0.605135 0.551224 0.238506 Si\n0.250000 -0.000000 -0.000000 Si\n0.475778 0.274222 0.274222 Si\n0.894865 0.761494 0.448776 Si\n0.975778 0.274222 0.274222 Si\n0.524222 0.725778 0.725778 Si\n0.250000 0.500000 0.500000 Ir\n0.140283 0.976003 0.743431 Ir\n0.359717 0.256569 0.023997 Ir\n0.640283 0.743431 0.976003 Ir\n0.859717 0.023997 0.256569 Ir\n0.750000 0.500000 0.500000 Ir\n",
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"structure_string": "Ca2 Mo4 O8\n1.0\n5.228810 -0.000000 -2.745193\n-1.441260 5.026256 -2.745193\n0.134031 0.177864 6.607584\nCa Mo O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 -0.000000 0.499999 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 -0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.791567 0.791951 0.583136 O\n0.708816 0.208432 0.916864 O\n0.208049 0.208432 0.916864 O\n0.208433 0.208049 0.416864 O\n0.208433 0.708816 0.416865 O\n0.291184 0.791568 0.083136 O\n0.791567 0.291184 0.583136 O\n0.791951 0.791568 0.083137 O\n",
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{
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"structure_string": "Sc6 Rh2 C8\n1.0\n5.105895 -0.011405 2.333267\n1.404256 5.397149 0.641710\n-0.003706 -0.005703 6.761367\nSc Rh C\n6 2 8\ndirect\n0.759561 0.759865 -0.000000 Sc\n0.188251 0.000000 0.623497 Sc\n0.689477 0.500000 0.621047 Sc\n0.240441 0.240134 -0.000000 Sc\n0.310524 0.500000 0.378954 Sc\n0.811749 -0.000001 0.376504 Sc\n0.269705 0.730148 -0.000000 Rh\n0.730297 0.269851 -0.000000 Rh\n0.949001 0.582067 0.258183 C\n0.711252 0.078054 0.740796 C\n0.792818 0.417932 0.258183 C\n0.051000 0.417933 0.741818 C\n0.288749 0.921946 0.259204 C\n0.547954 0.921946 0.740796 C\n0.452047 0.078054 0.259205 C\n0.207183 0.582068 0.741818 C\n",
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{
"id": "jvasp-98267",
"created_at": "2022-09-04T14:35:57.224855Z",
"updated_at": "2022-09-04T14:35:57.224872Z",
"structure_string": "Ti4 Fe2 P4 O20\n1.0\n6.404351 0.000000 -3.746255\n0.000000 7.385530 0.000000\n-0.062486 0.000000 7.470781\nTi Fe P O\n4 2 4 20\ndirect\n0.977573 0.273298 0.717060 Ti\n0.022426 0.726701 0.282940 Ti\n0.477574 0.226701 0.217060 Ti\n0.522425 0.773298 0.782940 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.748156 0.373425 -0.000840 P\n0.248156 0.126575 0.499159 P\n0.251844 0.626575 0.000841 P\n0.751844 0.873425 0.500841 P\n0.909324 -0.001564 0.680927 O\n0.845834 0.244763 0.908673 O\n0.920415 0.488551 0.175586 O\n0.590675 0.498436 0.819073 O\n0.272144 0.661831 0.496731 O\n0.579585 0.988551 0.324415 O\n0.864829 0.757373 0.418448 O\n0.227856 0.161831 0.003269 O\n0.345834 0.255237 0.408673 O\n0.409324 0.501564 0.180927 O\n0.079584 0.511449 0.824415 O\n0.772144 0.838169 0.996731 O\n0.654165 0.744763 0.591327 O\n0.090676 0.001564 0.319073 O\n0.135171 0.242627 0.581552 O\n0.727855 0.338169 0.503269 O\n0.635171 0.257373 0.081553 O\n0.364828 0.742627 0.918448 O\n0.154166 0.755237 0.091327 O\n0.420415 0.011449 0.675585 O\n",
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{
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"structure_string": "Sn4 H32 C16 O16\n1.0\n5.771032 0.000000 0.000000\n0.000000 9.509983 0.000000\n0.000000 0.000000 12.079946\nSn H C O\n4 32 16 16\ndirect\n0.068476 0.250000 0.696864 Sn\n0.568476 0.750000 0.803137 Sn\n0.931524 0.750000 0.303137 Sn\n0.431524 0.250000 0.196863 Sn\n0.657332 0.250000 0.591427 H\n0.772155 0.750000 0.089396 H\n0.370554 0.655478 0.988296 H\n0.342668 0.750000 0.408573 H\n0.870554 0.344522 0.511705 H\n0.272156 0.250000 0.410604 H\n0.227844 0.250000 0.910604 H\n0.034771 0.440379 0.914262 H\n0.870554 0.155478 0.511705 H\n0.370554 0.844522 0.988296 H\n0.034771 0.059620 0.914262 H\n0.921212 0.655607 0.678481 H\n0.629446 0.155478 0.011705 H\n0.157332 0.750000 0.908573 H\n0.965229 0.559620 0.085738 H\n0.727844 0.750000 0.589396 H\n0.465229 0.440379 0.414262 H\n0.578787 0.655607 0.178481 H\n0.534770 0.559620 0.585738 H\n0.129446 0.844522 0.488296 H\n0.078787 0.155607 0.321519 H\n0.965229 0.940379 0.085738 H\n0.465229 0.059620 0.414262 H\n0.129446 0.655478 0.488296 H\n0.421213 0.344393 0.821520 H\n0.842667 0.250000 0.091427 H\n0.629446 0.344522 0.011705 H\n0.578787 0.844392 0.178481 H\n0.921212 0.844392 0.678481 H\n0.421213 0.155607 0.821520 H\n0.534770 0.940379 0.585738 H\n0.078787 0.344393 0.321519 H\n0.105354 0.516099 0.137602 C\n0.685366 0.750000 0.169884 C\n0.185366 0.250000 0.330117 C\n0.814633 0.750000 0.669884 C\n0.394646 0.983901 0.637603 C\n0.164833 0.750000 0.439533 C\n0.394646 0.516099 0.637603 C\n0.664833 0.250000 0.060467 C\n0.894646 0.016099 0.862398 C\n0.605353 0.016099 0.362398 C\n0.105354 0.983901 0.137602 C\n0.335166 0.750000 0.939534 C\n0.605353 0.483901 0.362398 C\n0.314634 0.250000 0.830117 C\n0.835166 0.250000 0.560467 C\n0.894646 0.483901 0.862398 C\n0.844312 0.423098 0.771591 O\n0.292941 0.092336 0.600285 O\n0.655688 0.076902 0.271591 O\n0.292941 0.407664 0.600285 O\n0.707059 0.592335 0.399715 O\n0.792940 0.907664 0.899715 O\n0.792940 0.592335 0.899715 O\n0.344312 0.576902 0.728409 O\n0.844312 0.076902 0.771591 O\n0.207059 0.092336 0.100285 O\n0.155688 0.923098 0.228409 O\n0.207059 0.407664 0.100285 O\n0.344312 0.923098 0.728409 O\n0.655688 0.423098 0.271591 O\n0.707059 0.907664 0.399715 O\n0.155688 0.576902 0.228409 O\n",
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{
"id": "jvasp-98262",
"created_at": "2022-09-04T14:35:52.126431Z",
"updated_at": "2022-09-04T14:35:52.126452Z",
"structure_string": "Ba4 Tl2 Cu2 Hg1 O10\n1.0\n3.877537 -0.000000 -0.353030\n-0.032141 3.877404 -0.353030\n0.026976 0.027200 21.767455\nBa Tl Cu Hg O\n4 2 2 1 10\ndirect\n0.341826 0.341825 0.683650 Ba\n0.568382 0.568380 0.136762 Ba\n0.431621 0.431619 0.863238 Ba\n0.658176 0.658174 0.316350 Ba\n0.223567 0.223566 0.447133 Tl\n0.776435 0.776433 0.552868 Tl\n0.113623 0.113622 0.227245 Cu\n0.886380 0.886377 0.772756 Cu\n0.000000 0.000000 0.000000 Hg\n0.272100 0.272099 0.544199 O\n0.387271 0.887269 0.774540 O\n0.112731 0.612730 0.225460 O\n0.823811 0.823809 0.647619 O\n0.887272 0.387270 0.774540 O\n0.727902 0.727900 0.455801 O\n0.953316 0.953313 0.906628 O\n0.176191 0.176190 0.352381 O\n0.046686 0.046686 0.093372 O\n0.612731 0.112730 0.225460 O\n",
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{
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"created_at": "2022-09-04T14:35:48.954936Z",
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"structure_string": "Sr2 Co1 Mo1 O6\n1.0\n4.776592 -0.029773 2.760744\n1.613708 4.495783 2.760585\n-0.000242 -0.000270 5.521212\nSr Co Mo O\n2 1 1 6\ndirect\n0.750001 0.750001 0.750003 Sr\n0.250000 0.249998 0.249997 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Mo\n0.748097 0.748098 0.251884 O\n0.747873 0.252102 0.252118 O\n0.252128 0.747898 0.747881 O\n0.251902 0.251903 0.748116 O\n0.747910 0.252115 0.747857 O\n0.252090 0.747885 0.252142 O\n",
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{
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"updated_at": "2022-09-04T14:35:47.715157Z",
"structure_string": "Nb4 Se8 S4 N8 Cl4 F24\n1.0\n7.907840 0.000000 0.000000\n0.000000 9.899342 -3.393660\n0.000000 -0.130489 12.115938\nNb Se S N Cl F\n4 8 4 8 4 24\ndirect\n0.821350 0.911591 0.683438 Nb\n0.178650 0.088409 0.316562 Nb\n0.321350 0.588409 0.816562 Nb\n0.678650 0.411591 0.183438 Nb\n0.821617 0.719531 0.023350 Se\n0.917057 0.323594 0.650103 Se\n0.417057 0.176406 0.849898 Se\n0.321617 0.780469 0.476650 Se\n0.678383 0.219531 0.523350 Se\n0.082943 0.676406 0.349898 Se\n0.582943 0.823594 0.150102 Se\n0.178383 0.280469 0.976650 Se\n0.231804 -0.006845 0.943306 S\n0.731804 0.506845 0.556694 S\n0.768196 0.006845 0.056694 S\n0.268196 0.493155 0.443306 S\n0.893408 0.480641 0.624751 N\n0.377757 0.623120 0.495233 N\n0.106592 0.519359 0.375249 N\n0.606592 0.980641 0.124751 N\n0.122243 0.123120 -0.004767 N\n0.393408 0.019359 0.875249 N\n0.622243 0.376880 0.504767 N\n0.877757 0.876879 0.004767 N\n0.801575 0.361901 0.834231 Cl\n0.698425 0.861901 0.334230 Cl\n0.301575 0.138099 0.665770 Cl\n0.198425 0.638099 0.165770 Cl\n0.723541 0.279943 0.257665 F\n0.090467 0.601716 0.874397 F\n0.110898 0.234060 0.458563 F\n0.445322 0.434493 0.230994 F\n0.143407 0.952691 0.395689 F\n0.776459 0.779942 0.757665 F\n0.259431 0.444009 0.674869 F\n0.909533 0.398284 0.125603 F\n0.054678 0.934493 0.730994 F\n0.643407 0.547308 0.104311 F\n0.610898 0.265940 0.041437 F\n0.276459 0.720057 0.742335 F\n0.856593 0.047308 0.604311 F\n0.590467 0.898284 0.625603 F\n0.889102 0.765940 0.541437 F\n0.240569 0.944009 0.174869 F\n0.389102 0.734060 0.958563 F\n0.759431 0.055991 0.825131 F\n0.945322 0.065507 0.269006 F\n0.554678 0.565507 0.769006 F\n0.223541 0.220057 0.242335 F\n0.356593 0.452691 0.895689 F\n0.409533 0.101716 0.374397 F\n0.740569 0.555991 0.325131 F\n",
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{
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"created_at": "2022-09-04T14:35:46.138928Z",
"updated_at": "2022-09-04T14:35:46.138960Z",
"structure_string": "Li4 Be4 H32 C4 N4 O4 F16\n1.0\n4.745512 0.000000 0.000000\n0.000000 9.819957 -1.644965\n0.000000 0.181006 12.227003\nLi Be H C N O F\n4 4 32 4 4 4 16\ndirect\n0.674482 0.149699 0.494784 Li\n0.325517 0.850302 0.505217 Li\n0.174482 0.350302 0.505216 Li\n0.825517 0.649699 0.494784 Li\n0.826527 0.883394 0.369367 Be\n0.326527 0.616607 0.630633 Be\n0.173473 0.116607 0.630633 Be\n0.673472 0.383394 0.369367 Be\n0.916445 0.329392 0.731460 H\n0.413355 0.259391 0.988021 H\n0.242856 0.573498 0.085649 H\n0.535407 0.539397 0.852218 H\n0.762549 0.748084 0.123182 H\n0.938992 0.824171 0.731625 H\n0.237450 0.251917 0.876818 H\n0.964592 0.039397 0.852218 H\n0.586645 0.740610 0.011979 H\n0.088797 0.446203 0.155802 H\n0.913355 0.240610 0.011979 H\n0.416446 0.170608 0.268540 H\n0.911203 0.553797 0.844199 H\n0.767086 0.943863 0.673748 H\n0.737450 0.248083 0.123182 H\n0.267086 0.556137 0.326253 H\n0.438992 0.675830 0.268375 H\n0.257143 0.073497 0.085649 H\n0.035407 0.960604 0.147782 H\n0.742856 0.926503 0.914351 H\n0.583554 0.829392 0.731460 H\n0.411203 0.946204 0.155802 H\n0.232914 0.056137 0.326253 H\n0.061008 0.175830 0.268375 H\n0.588797 0.053797 0.844198 H\n0.083554 0.670608 0.268540 H\n0.561008 0.324171 0.731625 H\n0.732914 0.443863 0.673747 H\n0.262550 0.751917 0.876818 H\n0.757143 0.426503 0.914351 H\n0.086645 0.759391 0.988021 H\n0.464593 0.460603 0.147782 H\n0.234544 0.016350 0.154687 C\n0.765455 0.983650 0.845314 C\n0.265456 0.516351 0.154687 C\n0.734544 0.483650 0.845314 C\n0.764364 0.887900 0.738589 N\n0.235636 0.112101 0.261411 N\n0.735635 0.387899 0.738589 N\n0.264364 0.612101 0.261411 N\n0.274228 0.780250 0.957422 O\n0.725771 0.219750 0.042578 O\n0.225771 0.280250 0.957422 O\n0.774228 0.719751 0.042578 O\n0.208385 0.675724 0.526647 F\n0.214213 0.472019 0.632977 F\n0.708385 0.824276 0.473354 F\n0.751530 0.280297 0.262957 F\n0.844616 0.111862 0.621616 F\n0.655383 0.611862 0.621617 F\n0.714213 0.027982 0.367023 F\n0.344617 0.388139 0.378384 F\n0.791614 0.324276 0.473354 F\n0.248470 0.719704 0.737043 F\n0.291615 0.175724 0.526646 F\n0.748470 0.780297 0.262957 F\n0.251530 0.219703 0.737043 F\n0.285787 0.972019 0.632977 F\n0.155383 0.888139 0.378384 F\n0.785786 0.527982 0.367024 F\n",
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