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{
"id": "jvasp-13078",
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"structure_string": "Li4 B4 Se10\n1.0\n5.155472 -0.000000 1.172849\n2.462074 5.341732 1.094837\n-0.040563 0.056532 12.095642\nLi B Se\n4 4 10\ndirect\n0.856541 0.315707 0.931702 Li\n0.103951 0.184292 0.568298 Li\n0.143458 0.684292 0.068298 Li\n0.896048 0.815707 0.431703 Li\n0.307414 0.574117 0.707381 B\n0.588913 0.925882 0.792619 B\n0.692586 0.425882 0.292619 B\n0.411087 0.074118 0.207381 B\n0.733471 0.928889 0.939009 Se\n0.601369 0.571110 0.560991 Se\n0.076010 0.149080 0.340686 Se\n0.565775 0.350920 0.159314 Se\n0.758818 0.750000 0.250000 Se\n0.434224 0.649079 0.840686 Se\n0.241182 0.250000 0.750000 Se\n0.398630 0.428889 0.439009 Se\n0.923990 0.850919 0.659314 Se\n0.266529 0.071110 0.060991 Se\n",
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"structure_string": "Mn2 Ge4 O12\n1.0\n5.339434 0.095078 1.300866\n1.509513 6.347887 0.801663\n0.216270 0.048467 6.570224\nMn Ge O\n2 4 12\ndirect\n0.749999 0.914050 0.085951 Mn\n0.250000 0.085951 0.914049 Mn\n0.758553 0.389195 0.202036 Ge\n0.741445 0.797965 0.610805 Ge\n0.241446 0.610806 0.797964 Ge\n0.258553 0.202036 0.389194 Ge\n0.630424 0.981186 0.818998 O\n0.869574 0.181002 0.018816 O\n0.747752 0.640992 0.064527 O\n0.752246 0.935474 0.359009 O\n0.252247 0.359010 0.935472 O\n0.568128 0.599974 0.667517 O\n-0.068130 0.332483 0.400027 O\n0.130425 0.818999 0.981184 O\n0.068129 0.667518 0.599972 O\n0.431870 0.400028 0.332483 O\n0.247753 0.064528 0.640992 O\n0.369574 0.018815 0.181002 O\n",
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{
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"updated_at": "2022-09-04T14:36:55.288635Z",
"structure_string": "Ba2 Sr4 I12\n1.0\n7.773339 0.000000 0.000000\n-0.000000 7.773339 0.000000\n0.000000 0.000000 15.077403\nBa Sr I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.333049 Sr\n0.000000 0.000000 0.666951 Sr\n0.500000 0.500000 0.166951 Sr\n0.500000 0.500000 0.833048 Sr\n0.809735 0.190265 0.500000 I\n0.690265 0.690265 0.000000 I\n0.702749 0.702749 0.673894 I\n0.702749 0.702749 0.326106 I\n0.297251 0.297251 0.673894 I\n0.190265 0.809735 0.500000 I\n0.309735 0.309735 0.000000 I\n0.797251 0.202749 0.173894 I\n0.202749 0.797251 0.826106 I\n0.202749 0.797251 0.173894 I\n0.297251 0.297251 0.326106 I\n0.797251 0.202749 0.826106 I\n",
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{
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"updated_at": "2022-09-04T14:36:48.312225Z",
"structure_string": "Na8 Fe2 O8\n1.0\n5.757514 -0.025095 -0.062578\n-2.019670 -5.386052 0.025904\n-2.498708 0.662782 -7.722681\nNa Fe O\n8 2 8\ndirect\n0.405718 0.209457 0.367471 Na\n0.594281 0.790542 0.632530 Na\n0.796807 0.736819 0.016286 Na\n0.203192 0.263181 0.983715 Na\n0.954045 0.723654 0.431351 Na\n0.045954 0.276345 0.568650 Na\n0.751650 0.228404 0.163667 Na\n0.248349 0.771595 0.836334 Na\n0.409895 0.719795 0.251642 Fe\n0.590104 0.280204 0.748359 Fe\n0.242883 0.900726 0.110941 O\n0.757116 0.099273 0.889060 O\n0.689541 0.970351 0.383128 O\n0.310458 0.029648 0.616873 O\n0.429515 0.475138 0.798060 O\n0.570484 0.524862 0.201941 O\n0.165151 0.493023 0.326468 O\n0.834848 0.506976 0.673532 O\n",
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{
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"created_at": "2022-09-04T14:37:01.297546Z",
"updated_at": "2022-09-04T14:37:01.297577Z",
"structure_string": "Co2 Te2 Mo2 O12\n1.0\n0.000022 5.056775 -0.000632\n5.279773 0.000023 0.000003\n-0.000006 -0.001111 -8.844127\nCo Te Mo O\n2 2 2 12\ndirect\n0.750001 0.000007 0.528047 Co\n0.249999 0.500005 0.471954 Co\n0.750007 0.500008 0.749977 Te\n0.249992 0.000008 0.250024 Te\n0.749995 0.500008 0.191931 Mo\n0.250003 0.000009 0.808067 Mo\n0.014104 0.323400 0.295692 O\n0.524782 0.677865 0.607619 O\n0.901233 0.715184 0.073535 O\n0.598764 0.284833 0.073537 O\n0.975234 0.322136 0.607626 O\n0.985893 0.823398 0.704309 O\n0.024764 0.822137 0.392376 O\n0.401236 0.784831 0.926463 O\n0.475216 0.177866 0.392383 O\n0.514126 0.176611 0.704316 O\n0.098765 0.215183 0.926464 O\n0.485872 0.676611 0.295683 O\n",
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{
"id": "jvasp-101970",
"created_at": "2022-09-04T14:37:03.550194Z",
"updated_at": "2022-09-04T14:37:03.550214Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960457 0.004963 0.004854\n1.969007 5.897743 1.593839\n-0.011826 0.021973 10.401788\nSn H C Cl\n2 8 4 4\ndirect\n0.987391 0.972480 0.270653 Sn\n0.980478 0.972513 0.770646 Sn\n0.926828 0.743377 0.592761 H\n0.697436 0.201401 0.948589 H\n0.270439 0.743570 0.092719 H\n0.040989 0.201640 0.448533 H\n0.623504 0.150405 0.453914 H\n0.165962 0.150728 0.953876 H\n0.801903 0.794244 0.087432 H\n0.344328 0.794602 0.587377 H\n0.055611 0.874801 0.580355 C\n0.912221 0.070208 0.460938 C\n0.957744 0.070220 0.960942 C\n0.010127 0.874749 0.080365 C\n0.643079 0.670444 0.861298 Cl\n0.341333 0.274573 0.679986 Cl\n0.626510 0.670419 0.361319 Cl\n0.324768 0.274539 0.179989 Cl\n",
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{
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"created_at": "2022-09-04T14:36:48.364392Z",
"updated_at": "2022-09-04T14:36:48.364422Z",
"structure_string": "Tl4 Au8 S6\n1.0\n4.819376 0.000000 0.000000\n0.000000 7.609536 0.000000\n0.000000 0.000000 12.077758\nTl Au S\n4 8 6\ndirect\n0.729527 0.777683 0.500000 Tl\n0.729527 0.222317 0.500000 Tl\n0.270473 0.722317 0.000000 Tl\n0.270473 0.277683 0.000000 Tl\n0.441742 0.500000 0.659770 Au\n0.000000 0.250000 0.250000 Au\n0.558259 0.000000 0.840231 Au\n0.441742 0.500000 0.340231 Au\n0.000000 0.750000 0.250000 Au\n0.000000 0.750000 0.750000 Au\n0.000000 0.250000 0.750000 Au\n0.558259 0.000000 0.159769 Au\n0.831508 0.000000 0.000000 S\n0.168492 0.500000 0.500000 S\n0.751468 0.500000 0.189836 S\n0.751468 0.500000 0.810165 S\n0.248533 0.000000 0.689836 S\n0.248533 0.000000 0.310164 S\n",
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{
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"created_at": "2022-09-04T14:37:00.273017Z",
"updated_at": "2022-09-04T14:37:00.273044Z",
"structure_string": "U2 B4 O12\n1.0\n4.083821 0.000000 0.962545\n1.925966 6.259766 0.973196\n0.041394 0.043204 8.968932\nU B O\n2 4 12\ndirect\n0.767666 0.750000 0.250001 U\n0.232334 0.250000 0.750000 U\n0.159428 0.148698 0.249657 B\n0.557785 0.351302 0.250343 B\n0.840571 0.851302 0.750343 B\n0.442215 0.648698 0.749658 B\n0.146819 0.226549 0.958414 O\n0.331784 0.273451 0.541586 O\n0.647379 0.448142 0.759066 O\n0.854587 0.051857 0.740935 O\n0.145413 0.948143 0.259066 O\n0.511612 0.834557 0.765661 O\n0.111830 0.665443 0.734340 O\n0.488388 0.165443 0.234340 O\n0.888170 0.334557 0.265661 O\n0.668216 0.726549 0.458414 O\n0.853180 0.773451 0.041587 O\n0.352621 0.551858 0.240935 O\n",
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"structure_string": "Zn4 P2 H2 O10\n1.0\n5.553683 0.029463 0.041485\n0.294231 5.733682 0.009684\n1.445450 1.324817 6.241800\nZn P H O\n4 2 2 10\ndirect\n0.385315 0.248683 0.508577 Zn\n0.614685 0.751317 0.491421 Zn\n0.026099 0.737373 0.811892 Zn\n0.973901 0.262627 0.188107 Zn\n0.832397 0.249955 0.726518 P\n0.167603 0.750045 0.273480 P\n0.434678 0.905993 0.825347 H\n0.565322 0.094007 0.174652 H\n0.027849 0.248097 0.513298 O\n0.972151 0.751903 0.486701 O\n0.405543 0.619715 0.329196 O\n0.594457 0.380285 0.670802 O\n0.771083 0.992762 0.851996 O\n0.939655 0.387698 0.865980 O\n0.228917 0.007238 0.148003 O\n0.360311 0.889121 0.705893 O\n0.060345 0.612302 0.134019 O\n0.639689 0.110879 0.294105 O\n",
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{
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"structure_string": "H4 C10 S3 O1\n1.0\n3.760218 0.001409 -0.089976\n-0.363716 5.972320 -1.747573\n-0.023940 -0.110167 9.955042\nH C S O\n4 10 3 1\ndirect\n0.686765 0.950367 0.090849 H\n0.685328 0.103801 0.914534 H\n0.768030 0.229275 0.343270 H\n0.763991 0.816757 0.665465 H\n0.352480 0.514434 0.918081 C\n0.357526 0.498583 0.067414 C\n0.465597 0.330742 0.808478 C\n0.556224 0.065253 0.573099 C\n0.475923 0.694691 0.182936 C\n0.561682 0.958437 0.424080 C\n0.654855 0.980471 0.682528 C\n0.612136 0.132462 0.815285 C\n0.617425 0.906259 0.184742 C\n0.661701 0.056111 0.320499 C\n0.409937 0.679987 0.352602 S\n0.401620 0.332316 0.634352 S\n0.153971 0.726287 0.885370 S\n0.232734 0.323083 0.088802 O\n",
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"updated_at": "2022-09-04T14:37:00.636438Z",
"structure_string": "Cu2 H8 Cl4 O4\n1.0\n3.777320 0.000000 0.000000\n-0.000000 7.341678 0.000000\n0.000000 0.000000 7.978850\nCu H Cl O\n2 8 4 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.136984 0.085689 0.314076 H\n0.863016 0.914312 0.685924 H\n0.136984 0.414311 0.185924 H\n0.863016 0.585689 0.814076 H\n0.863016 0.914312 0.314076 H\n0.136984 0.414311 0.814076 H\n0.136984 0.085689 0.685924 H\n0.863016 0.585689 0.185924 H\n0.619941 0.747421 0.500000 Cl\n0.380059 0.247421 0.000000 Cl\n0.380059 0.252580 0.500000 Cl\n0.619941 0.752580 0.000000 Cl\n0.000000 0.500000 0.743001 O\n0.000000 0.000000 0.756999 O\n0.000000 0.500000 0.256999 O\n0.000000 0.000000 0.243001 O\n",
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"created_at": "2022-09-04T14:37:06.824035Z",
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}