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{
"id": "jvasp-112071",
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"structure_string": "H11 C13 N1\n1.0\n3.666180 0.090213 -1.242235\n-2.879892 5.437503 -2.312039\n0.108989 -0.542644 10.833502\nH C N\n11 13 1\ndirect\n0.511297 0.852667 0.325934 H\n0.537571 0.897970 0.562852 H\n0.801449 0.027523 0.020428 H\n0.573574 0.159948 0.201964 H\n0.618008 0.213001 0.444620 H\n0.349206 0.189163 0.584917 H\n0.628190 0.358446 0.060051 H\n0.323935 0.728295 0.087551 H\n0.861991 0.846747 0.184113 H\n0.803532 0.986224 0.787372 H\n0.357950 0.232512 0.819862 H\n0.577653 0.634065 0.938762 C\n0.551906 0.736254 0.486099 C\n0.702544 0.818227 0.791873 C\n0.532065 0.709718 0.349876 C\n0.574692 0.557653 0.523547 C\n0.581415 0.583613 0.665943 C\n0.557350 0.319734 0.280035 C\n0.459023 0.400343 0.814942 C\n0.580363 0.349902 0.416801 C\n0.459117 0.376020 0.681037 C\n0.699886 0.842131 0.924408 C\n0.572409 0.678831 0.085566 C\n0.531570 0.499481 0.243085 C\n0.501820 0.465699 0.104085 N\n",
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{
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{
"id": "jvasp-112069",
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"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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{
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"created_at": "2022-09-04T14:38:43.686380Z",
"updated_at": "2022-09-04T14:38:43.686407Z",
"structure_string": "Li1 Si1\n1.0\n2.588428 0.000000 0.000000\n0.000000 2.588428 0.000000\n0.000000 0.000000 4.973160\nLi Si\n1 1\ndirect\n0.000000 0.000000 -0.133253 Li\n0.000000 -0.000000 0.366778 Si\n",
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{
"id": "jvasp-114885",
"created_at": "2022-09-04T14:38:43.684843Z",
"updated_at": "2022-09-04T14:38:43.684858Z",
"structure_string": "Al1 B1 N2\n1.0\n2.657203 -0.000000 -0.000000\n0.000000 2.657203 -0.000000\n-0.000000 0.000000 4.289328\nAl B N\n1 1 2\ndirect\n0.500000 0.500000 0.477995 Al\n0.000000 0.000000 -0.077138 B\n0.000000 0.000000 0.578351 N\n0.500000 0.500000 0.030793 N\n",
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{
"id": "jvasp-116663",
"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
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{
"id": "jvasp-112767",
"created_at": "2022-09-04T14:38:43.683050Z",
"updated_at": "2022-09-04T14:38:43.683065Z",
"structure_string": "Li7 Si2 Ni3 O12\n1.0\n4.799199 0.000059 -0.814867\n-2.399525 4.211444 0.407211\n0.004136 -0.000034 9.579287\nLi Si Ni O\n7 2 3 12\ndirect\n0.583293 0.666575 0.750001 Li\n0.340290 0.666691 0.996758 Li\n0.826409 0.666701 0.503243 Li\n0.177597 0.342659 0.502743 Li\n0.665080 0.342676 0.997264 Li\n0.501549 0.990659 0.502718 Li\n0.989113 0.990677 0.997274 Li\n0.916571 0.333139 0.750000 Si\n0.250031 0.000050 0.750001 Si\n0.083356 0.666707 0.250000 Ni\n0.748818 -0.002372 0.249998 Ni\n0.417916 0.335834 0.250002 Ni\n0.618291 0.037641 0.855652 O\n0.461417 0.666664 0.370023 O\n0.705292 0.666749 0.129977 O\n0.177995 0.666593 0.644529 O\n0.988618 0.666616 0.855471 O\n0.049981 0.338063 0.137936 O\n0.788072 0.338005 0.362050 O\n0.378643 -0.004538 0.137961 O\n0.116776 -0.004597 0.362053 O\n0.247252 0.295574 0.855646 O\n0.919352 0.037625 0.644348 O\n0.548320 0.295559 0.644356 O\n",
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{
"id": "jvasp-112737",
"created_at": "2022-09-04T14:38:43.681374Z",
"updated_at": "2022-09-04T14:38:43.681392Z",
"structure_string": "Li12 C4 N8\n1.0\n4.632535 -0.000000 -1.892578\n0.000000 6.750165 0.000000\n-0.010025 -0.000000 6.776525\nLi C N\n12 4 8\ndirect\n0.253094 0.027509 0.995623 Li\n0.251009 0.699895 0.179036 Li\n0.251008 0.800104 0.679036 Li\n0.748989 0.300105 0.820962 Li\n0.254564 0.017276 0.370859 Li\n0.745434 0.517276 0.129140 Li\n0.748990 0.199895 0.320962 Li\n0.254564 0.482723 0.870859 Li\n0.253095 0.472491 0.495624 Li\n0.746904 0.972491 0.004375 Li\n0.746903 0.527508 0.504375 Li\n0.745434 0.982723 0.629139 Li\n0.842908 0.863948 0.370415 C\n0.157091 0.363948 0.129584 C\n0.157090 0.136051 0.629584 C\n0.842907 0.636051 0.870414 C\n0.001389 0.709688 0.371369 N\n0.425639 0.074227 0.720621 N\n0.574358 0.574227 0.779377 N\n0.574359 0.925772 0.279377 N\n0.425640 0.425772 0.220622 N\n-0.001390 0.290311 0.628630 N\n0.001388 0.790311 0.871369 N\n-0.001389 0.209688 0.128630 N\n",
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{
"id": "jvasp-114783",
"created_at": "2022-09-04T14:38:43.680833Z",
"updated_at": "2022-09-04T14:38:43.680865Z",
"structure_string": "Na1 Sb1 Cl1\n1.0\n3.317510 0.000000 -0.000000\n-0.000000 3.317510 -0.000000\n-0.000000 -0.000000 8.249881\nNa Sb Cl\n1 1 1\ndirect\n0.000000 0.000000 0.622194 Na\n0.000000 0.000000 0.004641 Sb\n0.000000 0.000000 0.317563 Cl\n",
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{
"id": "jvasp-116796",
"created_at": "2022-09-04T14:38:43.680083Z",
"updated_at": "2022-09-04T14:38:43.680104Z",
"structure_string": "Mn6 Pb6 O18\n1.0\n5.522675 0.000000 0.181267\n2.761337 4.782095 0.090633\n-0.050725 0.000000 13.596629\nMn Pb O\n6 6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.672618 0.674137 0.844907 Mn\n0.653244 0.674137 0.655093 Mn\n0.327380 0.325864 0.155093 Mn\n0.346754 0.325864 0.344907 Mn\n0.329222 0.341824 0.591492 Pb\n0.328951 0.341824 0.908508 Pb\n0.670776 0.658177 0.408508 Pb\n0.990883 0.018231 0.750000 Pb\n0.009116 0.981770 0.250000 Pb\n0.671047 0.658177 0.091492 Pb\n0.788857 0.328889 0.582090 O\n0.206766 0.167147 0.438500 O\n0.626088 0.167147 0.061500 O\n0.288695 0.828257 0.595152 O\n0.883045 0.828257 0.904848 O\n0.711303 0.171744 0.404848 O\n0.116953 0.171744 0.095152 O\n0.882251 0.328889 0.917910 O\n0.039749 0.473303 0.261214 O\n0.117747 0.671112 0.082090 O\n0.513050 0.526698 0.761214 O\n0.960249 0.526698 0.738786 O\n0.486948 0.473303 0.238786 O\n0.373911 0.832854 0.938500 O\n0.513282 0.973434 0.750000 O\n0.486716 0.026567 0.250000 O\n0.211141 0.671112 0.417910 O\n0.793232 0.832854 0.561500 O\n",
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{
"id": "jvasp-112061",
"created_at": "2022-09-04T14:38:43.672595Z",
"updated_at": "2022-09-04T14:38:43.672612Z",
"structure_string": "Ti1 H8 C5 O4\n1.0\n4.837181 0.176794 0.537790\n0.602942 6.210730 4.091691\n-0.211568 0.321082 6.074237\nTi H C O\n1 8 5 4\ndirect\n0.635449 0.564601 0.075848 Ti\n0.127513 0.244181 0.901857 H\n0.514658 0.980213 -0.135267 H\n0.019931 0.165402 0.322849 H\n0.458941 0.324425 0.751158 H\n0.686947 0.113207 0.470587 H\n0.860048 0.906340 0.009008 H\n0.561710 0.854834 0.222763 H\n0.736022 0.178950 0.137752 H\n0.650083 0.860433 0.047859 C\n0.793822 0.214151 0.279316 C\n0.119506 0.453080 0.467867 C\n0.184636 0.569196 0.772259 C\n0.234590 0.380235 0.738470 C\n0.296954 0.505643 0.276527 O\n0.394067 0.656074 0.759955 O\n0.866695 0.459804 0.437146 O\n-0.059086 0.632077 0.814907 O\n",
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{
"id": "jvasp-112729",
"created_at": "2022-09-04T14:38:43.671570Z",
"updated_at": "2022-09-04T14:38:43.671591Z",
"structure_string": "Ca10 Co4 N12\n1.0\n5.689586 0.000543 -1.049648\n-3.358270 5.189481 -0.000000\n-0.025403 -0.016439 12.441819\nCa Co N\n10 4 12\ndirect\n0.000000 0.368700 0.750000 Ca\n0.000000 0.631299 0.250000 Ca\n0.128077 0.803822 0.999356 Ca\n0.871923 0.675746 0.500644 Ca\n0.871923 0.196177 0.000644 Ca\n0.128077 0.324253 0.499356 Ca\n0.319240 0.051323 0.723861 Ca\n0.680761 0.732083 0.776139 Ca\n0.680761 0.948676 0.276139 Ca\n0.319240 0.267916 0.223861 Ca\n0.542852 0.659692 0.064659 Co\n0.457149 0.116841 0.435341 Co\n0.542852 0.883157 0.564659 Co\n0.457149 0.340307 0.935341 Co\n0.105110 0.014452 0.371263 N\n0.286644 0.676023 0.644392 N\n0.713357 0.389380 0.855608 N\n0.713357 0.323976 0.355608 N\n0.286644 0.610619 0.144392 N\n0.569142 0.233474 0.575204 N\n0.430859 0.664332 0.924796 N\n0.430859 0.766525 0.424796 N\n0.569142 0.335667 0.075204 N\n0.894891 0.985547 0.628737 N\n0.105110 0.090657 0.871263 N\n0.894891 0.909342 0.128737 N\n",
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}