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{
"id": "jvasp-119433",
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"structure_string": "K4 Cu2 H8 Cl8 O4\n1.0\n7.402231 -0.000000 0.000000\n-0.000000 7.402231 0.000000\n0.000000 0.000000 7.862308\nK Cu H Cl O\n4 2 8 8 4\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.077555 0.077555 0.323091 H\n0.422445 0.577555 0.823091 H\n0.577555 0.422445 0.823091 H\n0.922445 0.922445 0.323091 H\n0.077555 0.077555 0.676909 H\n0.577555 0.422445 0.176909 H\n0.422445 0.577555 0.176909 H\n0.922445 0.922445 0.676909 H\n0.279826 0.720174 0.500000 Cl\n0.720174 0.279826 0.500000 Cl\n0.220174 0.220174 0.000000 Cl\n0.779826 0.779826 0.000000 Cl\n0.276546 0.723454 0.000000 Cl\n0.723454 0.276546 0.000000 Cl\n0.223454 0.223454 0.500000 Cl\n0.776546 0.776546 0.500000 Cl\n0.500000 0.500000 0.749318 O\n0.500000 0.500000 0.250683 O\n0.000000 0.000000 0.750683 O\n0.000000 0.000000 0.249318 O\n",
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{
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"updated_at": "2022-09-04T14:36:08.037461Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.105953 -0.023696 -0.182474\n-0.003797 6.247668 0.263155\n-0.365583 0.474831 11.326056\nSr H O\n2 32 20\ndirect\n0.971984 0.013303 0.502409 Sr\n0.019377 0.940993 -0.020006 Sr\n0.268883 0.380802 0.605837 H\n0.035310 0.421216 0.652850 H\n0.370915 0.716399 0.604519 H\n0.432164 -0.054588 0.647707 H\n0.737828 0.178377 0.713931 H\n0.597782 0.281098 0.600886 H\n0.068823 0.555416 0.163699 H\n0.721822 0.394902 0.098299 H\n0.032059 0.228208 0.156245 H\n0.741310 0.831868 0.212259 H\n0.620186 0.726167 0.106103 H\n0.385595 0.268541 0.103197 H\n0.432277 0.023545 0.128920 H\n0.709069 0.608297 0.602956 H\n0.800555 0.722871 0.714899 H\n0.184993 0.757433 0.224598 H\n0.561801 0.922785 0.842925 H\n0.626609 0.679865 0.887064 H\n0.026745 0.351867 0.304636 H\n0.229315 0.425401 0.396771 H\n0.922175 0.606971 0.374315 H\n0.718488 0.213131 0.282484 H\n0.575602 0.309102 0.379343 H\n0.392221 0.001471 0.346668 H\n0.675020 0.658422 0.388194 H\n0.348723 0.758089 0.391778 H\n0.979048 0.402985 0.849499 H\n0.742338 0.348306 0.894389 H\n0.206688 0.709207 0.781078 H\n0.300166 0.571070 0.897226 H\n0.403209 0.227036 0.894697 H\n0.267971 0.179032 0.775293 H\n0.335057 0.107814 0.851356 O\n0.158362 0.689894 0.149212 O\n0.669656 0.141354 0.636888 O\n0.307487 0.843919 0.640581 O\n0.142537 0.304871 0.646790 O\n0.847954 0.671437 0.640219 O\n0.688054 0.821532 0.852277 O\n0.917641 0.326658 0.175070 O\n0.162032 0.641662 0.858652 O\n0.536619 0.454792 0.940157 O\n0.271575 0.897490 0.362280 O\n0.637726 0.171080 0.354581 O\n0.817801 0.730803 0.364823 O\n0.072304 0.370844 0.390828 O\n0.567480 0.465962 0.070836 O\n0.480028 0.502723 0.557410 O\n0.464198 0.526299 0.424449 O\n0.681661 0.866825 0.128899 O\n0.874342 0.282094 0.860497 O\n0.308742 0.126862 0.110805 O\n",
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{
"id": "jvasp-112069",
"created_at": "2022-09-04T14:38:43.692504Z",
"updated_at": "2022-09-04T14:38:43.692532Z",
"structure_string": "H12 C24 S2 O4\n1.0\n5.882047 -0.048570 -0.416230\n-0.832689 7.269382 -1.850950\n0.047842 -0.104795 10.111583\nH C S O\n12 24 2 4\ndirect\n0.307109 0.018716 0.760121 H\n0.144539 0.859270 0.523112 H\n0.682392 0.762307 0.841005 H\n0.682393 0.262307 0.841006 H\n0.520566 0.603140 0.603347 H\n0.520567 0.103140 0.603347 H\n0.144538 0.359270 0.523112 H\n0.354433 0.030927 0.172289 H\n0.164124 0.589561 0.401377 H\n0.164125 0.089561 0.401377 H\n0.307108 0.518716 0.760120 H\n0.354433 0.530928 0.172289 H\n0.690978 0.081572 0.639489 C\n0.690977 0.581571 0.639489 C\n0.010021 0.154013 0.815024 C\n0.010020 0.654013 0.815023 C\n0.820958 0.973164 0.546864 C\n0.135559 0.037266 0.724281 C\n0.135557 0.537265 0.724281 C\n0.043143 0.947833 0.591855 C\n0.043142 0.447833 0.591855 C\n0.783469 0.671476 0.773515 C\n0.820957 0.473164 0.546864 C\n0.783470 0.171477 0.773515 C\n0.144349 0.275046 0.941482 C\n0.720803 0.883697 0.402300 C\n0.186778 0.965901 0.183498 C\n0.186778 0.465902 0.183499 C\n0.720802 0.383697 0.402299 C\n0.083784 0.496039 0.306258 C\n0.052752 0.839793 0.074986 C\n0.083784 0.996039 0.306258 C\n0.870269 0.892225 0.293320 C\n0.870268 0.392226 0.293320 C\n0.144349 0.775045 0.941482 C\n0.052753 0.339793 0.074986 C\n0.793680 0.762379 0.125234 S\n0.793680 0.262379 0.125234 S\n0.349021 0.326392 0.933435 O\n0.521034 0.805200 0.377515 O\n0.521033 0.305200 0.377515 O\n0.349020 0.826391 0.933434 O\n",
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"formula_full": "H12 C24 S2 O4",
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{
"id": "jvasp-108613",
"created_at": "2022-09-04T14:37:57.606664Z",
"updated_at": "2022-09-04T14:37:57.606684Z",
"structure_string": "Ba6 Ac2\n1.0\n8.528239 -0.000000 0.000000\n-4.264119 7.385672 0.000000\n-0.000000 -0.000000 6.841598\nBa Ac\n6 2\ndirect\n0.170144 0.340287 0.250000 Ba\n0.659713 0.829856 0.250000 Ba\n0.170143 0.829856 0.250000 Ba\n0.829856 0.659713 0.750000 Ba\n0.340287 0.170144 0.750000 Ba\n0.829856 0.170144 0.750000 Ba\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
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{
"id": "jvasp-112053",
"created_at": "2022-09-04T14:38:42.920481Z",
"updated_at": "2022-09-04T14:38:42.920493Z",
"structure_string": "H14 C22 S4 N2\n1.0\n3.739031 0.238769 -0.272716\n-0.812145 10.488748 -4.022252\n0.131432 -0.245965 11.023791\nH C S N\n14 22 4 2\ndirect\n0.770858 0.841775 0.009194 H\n0.746777 0.611102 0.386789 H\n0.305205 0.786091 0.840721 H\n0.305204 0.786092 0.340721 H\n0.280065 0.552523 0.717677 H\n0.280064 0.552524 0.217677 H\n0.955476 0.003700 0.672914 H\n0.746777 0.611102 0.886788 H\n0.718504 0.415221 0.280777 H\n0.718503 0.415221 0.780777 H\n0.767644 0.171095 0.190302 H\n0.767644 0.171095 0.690302 H\n0.770857 0.841775 0.509194 H\n0.955477 0.003700 0.172915 H\n0.042251 0.830912 0.683513 C\n0.014890 0.561667 0.041504 C\n0.014890 0.561667 0.541504 C\n0.137378 0.054549 0.861370 C\n0.883712 0.778024 0.554876 C\n0.883713 0.778025 0.054877 C\n0.870343 0.647277 0.985996 C\n0.870343 0.647278 0.485996 C\n0.042251 0.830913 0.183513 C\n0.137379 0.054550 0.361370 C\n0.167827 0.615551 0.670751 C\n0.055028 0.185344 0.876237 C\n0.183854 0.747514 0.741582 C\n0.183854 0.747515 0.241582 C\n0.055029 0.185344 0.376237 C\n0.002604 0.424512 0.464111 C\n0.002604 0.424512 0.964111 C\n0.850651 0.364497 0.337073 C\n0.850650 0.364496 0.837073 C\n0.878597 0.230676 0.287876 C\n0.878597 0.230676 0.787876 C\n0.167827 0.615551 0.170751 C\n0.181413 0.311499 0.022019 S\n0.181413 0.311499 0.522019 S\n0.336417 0.022787 0.986228 S\n0.336417 0.022787 0.486228 S\n0.041890 0.965515 0.239977 N\n0.041890 0.965515 0.739977 N\n",
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{
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"created_at": "2022-09-04T14:38:13.914513Z",
"updated_at": "2022-09-04T14:38:13.914532Z",
"structure_string": "K4 Re2 Cl10 O1\n1.0\n6.560648 0.000000 -2.430390\n-0.900337 6.498577 -2.430390\n0.011255 0.012921 10.100557\nK Re Cl O\n4 2 10 1\ndirect\n-0.000000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.249999 0.750000 0.500000 K\n0.500000 -0.000000 0.000000 K\n0.105263 0.105263 0.210527 Re\n0.894736 0.894737 0.789473 Re\n0.644907 0.644908 0.775195 Cl\n0.758079 0.758079 0.516157 Cl\n0.355092 0.355092 0.224806 Cl\n0.355092 0.869714 0.224806 Cl\n0.130286 0.644908 0.775195 Cl\n0.869713 0.869714 0.224806 Cl\n0.869713 0.355092 0.224806 Cl\n0.241921 0.241921 0.483843 Cl\n0.644908 0.130286 0.775195 Cl\n0.130286 0.130286 0.775194 Cl\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:19.470362Z",
"updated_at": "2022-09-04T14:37:19.470390Z",
"structure_string": "Ba2 Pr4 Zn2 S10\n1.0\n7.093634 0.000000 -3.547174\n-1.773766 6.868289 -3.547174\n-0.005708 -0.007370 8.855091\nBa Pr Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.338682 0.161318 0.000000 Pr\n0.161317 0.661318 0.000000 Pr\n0.661317 0.838683 0.000000 Pr\n0.838682 0.338683 0.000000 Pr\n0.249999 0.750000 0.500000 Zn\n0.749999 0.250000 0.500000 Zn\n0.499999 0.500000 0.000000 S\n0.485026 0.985027 0.270102 S\n0.985026 0.785074 0.270102 S\n0.285073 0.485027 0.270102 S\n0.014973 0.214926 0.729898 S\n0.714925 0.514973 0.729899 S\n0.514973 0.014973 0.729899 S\n0.214926 0.714926 0.729899 S\n0.785073 0.285074 0.270102 S\n0.000000 0.000000 0.000000 S\n",
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"updated_at": "2022-09-04T14:36:10.566047Z",
"structure_string": "Hf6 Al16 Co7\n1.0\n-0.000000 5.995695 5.995695\n5.995695 -0.000000 5.995695\n5.995695 5.995695 0.000000\nHf Al Co\n6 16 7\ndirect\n0.689809 0.310190 0.689809 Hf\n0.689809 0.310190 0.310190 Hf\n0.310190 0.689809 0.689809 Hf\n0.310190 0.310190 0.689809 Hf\n0.689809 0.689809 0.310190 Hf\n0.310190 0.689809 0.310190 Hf\n0.007114 0.664295 0.664295 Al\n0.664295 0.007114 0.664295 Al\n0.664295 0.664295 0.664295 Al\n0.992886 0.335704 0.335704 Al\n0.118302 0.645092 0.118302 Al\n0.335704 0.335704 0.335704 Al\n0.118302 0.118302 0.118302 Al\n0.118302 0.118302 0.645092 Al\n0.645092 0.118302 0.118302 Al\n0.881697 0.881697 0.881697 Al\n0.335704 0.335704 0.992886 Al\n0.664295 0.664295 0.007114 Al\n0.881697 0.354907 0.881697 Al\n0.881697 0.881697 0.354907 Al\n0.354907 0.881697 0.881697 Al\n0.335704 0.992886 0.335704 Al\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
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"created_at": "2022-09-04T14:38:43.670326Z",
"updated_at": "2022-09-04T14:38:43.670337Z",
"structure_string": "Ba6 Zr2 Ir4 O18\n1.0\n5.849788 0.000000 0.000000\n-2.924894 5.066064 0.000000\n-0.000000 -0.000000 14.547022\nBa Zr Ir O\n6 2 4 18\ndirect\n0.333334 0.666666 0.093544 Ba\n0.666667 0.333333 0.906456 Ba\n0.666667 0.333333 0.593544 Ba\n0.333334 0.666666 0.406456 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333334 0.666666 0.839280 Ir\n0.666667 0.333333 0.160720 Ir\n0.666667 0.333333 0.339280 Ir\n0.333334 0.666666 0.660720 Ir\n0.017058 0.508528 0.750000 O\n0.982943 0.491471 0.250000 O\n0.491472 0.982941 0.750000 O\n0.508529 0.017058 0.250000 O\n0.169135 0.830864 0.918165 O\n0.830865 0.169135 0.081834 O\n0.661731 0.830864 0.918165 O\n0.830865 0.169135 0.418166 O\n0.661731 0.830864 0.581834 O\n0.169135 0.830864 0.581834 O\n0.169135 0.338270 0.918165 O\n0.338270 0.169135 0.418166 O\n0.830866 0.661729 0.081834 O\n0.508529 0.491471 0.250000 O\n0.830866 0.661729 0.418166 O\n0.169135 0.338270 0.581834 O\n0.338270 0.169135 0.081834 O\n0.491472 0.508528 0.750000 O\n",
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