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{
"id": "jvasp-121070",
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"structure_string": "P1 H3\n1.0\n5.117027 0.506033 0.303322\n-2.215485 -3.542361 -0.269988\n-1.160690 -0.020483 -2.288870\nP H\n1 3\ndirect\n0.748076 0.454614 0.098438 P\n0.962991 0.884311 0.102085 H\n0.145907 0.465733 0.491325 H\n0.361365 0.465709 0.706724 H\n",
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{
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{
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{
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"structure_string": "Na4 Sr2 Al8 Si8 O32\n1.0\n7.750054 -0.000011 -3.357913\n-2.012492 8.569357 -4.644837\n0.018380 0.005247 10.665006\nNa Sr Al Si O\n4 2 8 8 32\ndirect\n0.364328 0.082991 0.808449 Na\n0.864327 0.225459 0.808448 Na\n0.944128 0.582996 0.808454 Na\n0.444129 0.725458 0.808456 Na\n0.654255 0.154263 0.308525 Sr\n0.154255 0.654264 0.308525 Sr\n0.633051 0.370056 0.126686 Al\n0.133051 0.256629 0.126686 Al\n0.533826 0.356347 0.621875 Al\n0.033827 0.765527 0.621875 Al\n0.493623 0.756631 0.126684 Al\n0.088050 0.265525 0.621874 Al\n0.993622 0.870054 0.126684 Al\n0.588050 0.856350 0.621874 Al\n0.322429 0.044608 0.491490 Si\n0.169065 0.446890 0.491495 Si\n0.669065 0.544606 0.491495 Si\n0.822430 0.946882 0.491490 Si\n0.261261 0.447487 0.996466 Si\n0.735201 0.548979 0.996468 Si\n0.761259 0.048980 0.996466 Si\n0.235201 0.947490 0.996468 Si\n0.473327 0.150903 0.493083 O\n0.642865 0.171730 0.059515 O\n0.787594 0.483064 0.119986 O\n0.258469 0.165817 0.620700 O\n0.362242 0.454888 0.620698 O\n0.418780 0.354151 0.992009 O\n0.573229 0.637860 0.992017 O\n0.160989 0.934670 0.315795 O\n0.519770 0.650905 0.493088 O\n0.916648 0.671729 0.059518 O\n0.689500 0.407379 0.816261 O\n0.189499 0.908883 0.816261 O\n0.918779 0.137857 0.992009 O\n0.655893 0.420319 0.550320 O\n0.142865 0.387786 0.059515 O\n0.894431 0.129992 0.550313 O\n0.073229 0.854157 0.992016 O\n0.126757 0.408882 0.816259 O\n0.416648 0.887789 0.059517 O\n0.862242 0.665810 0.620698 O\n0.660988 0.881127 0.315795 O\n0.154803 0.381133 0.315796 O\n0.654802 0.434663 0.315796 O\n0.758469 0.954884 0.620701 O\n0.019770 0.342183 0.493088 O\n0.332391 0.636919 0.119985 O\n0.973326 0.842181 0.493083 O\n0.626757 0.907378 0.816259 O\n0.155893 0.630001 0.550320 O\n0.394432 0.920321 0.550313 O\n0.287594 0.136922 0.119986 O\n0.832390 0.983067 0.119986 O\n",
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{
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"structure_string": "Ca4 Mn2 Al2 O10\n1.0\n5.042428 0.000000 -1.655469\n-0.597441 5.254425 -1.819758\n-0.083073 -0.127085 8.254118\nCa Mn Al O\n4 2 2 10\ndirect\n0.618398 0.079671 0.219831 Ca\n0.898567 0.359841 0.780172 Ca\n0.398567 0.920329 0.780169 Ca\n0.118394 0.640159 0.219828 Ca\n0.997975 -0.000000 -0.000000 Mn\n0.497973 0.500000 -0.000000 Mn\n0.788715 0.675946 0.499998 Al\n0.288717 0.324054 0.500002 Al\n0.735718 0.731709 0.971866 O\n0.623024 0.393424 0.500003 O\n0.235718 0.740154 0.971867 O\n0.820101 0.924759 0.706344 O\n0.113757 0.075241 0.293656 O\n0.320111 0.281600 0.706357 O\n0.613753 0.718400 0.293643 O\n0.123021 0.606576 0.499997 O\n0.263851 0.259846 0.028133 O\n0.763851 0.268291 0.028134 O\n",
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{
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"structure_string": "Ti6 Fe6 Si6\n1.0\n5.599768 0.000000 -2.730465\n-1.660106 5.862779 -3.404625\n0.010033 -0.012821 7.127945\nTi Fe Si\n6 6 6\ndirect\n0.036286 0.022421 0.544841 Ti\n0.105438 0.554969 0.609938 Ti\n0.916534 0.247047 0.994092 Ti\n0.491444 0.977579 0.455159 Ti\n0.922442 0.752953 0.005907 Ti\n0.495500 0.445032 0.390061 Ti\n0.743398 0.590112 0.246565 Fe\n0.496832 0.843546 0.753434 Fe\n0.251444 -0.000000 -0.000000 Fe\n0.251444 0.500000 0.000000 Fe\n0.743398 0.156454 0.246565 Fe\n0.496832 0.409889 0.753434 Fe\n0.828100 0.824597 0.665458 Si\n0.474737 0.219878 0.939757 Si\n0.828100 0.340863 0.665458 Si\n0.162642 0.659138 0.334542 Si\n0.162642 0.175403 0.334541 Si\n0.534979 0.780122 0.060243 Si\n",
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{
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"created_at": "2022-09-04T14:36:07.815380Z",
"updated_at": "2022-09-04T14:36:07.815399Z",
"structure_string": "Mn6 Ge6 Rh6\n1.0\n5.929614 0.000000 -2.904598\n-1.662951 6.020809 -3.394844\n-0.026509 -0.003378 7.450710\nMn Ge Rh\n6 6 6\ndirect\n0.488557 0.442431 0.384864 Mn\n0.103693 0.557569 0.615137 Mn\n0.057935 0.032143 0.564287 Mn\n0.493647 0.967857 0.435713 Mn\n0.898813 0.242633 0.985264 Mn\n0.913548 0.757367 0.014735 Mn\n0.163828 0.172880 0.334281 Ge\n0.829547 0.827120 0.665719 Ge\n0.530291 0.779503 0.059006 Ge\n0.163829 0.661401 0.334282 Ge\n0.829547 0.338599 0.665718 Ge\n0.471285 0.220497 0.940994 Ge\n0.239281 0.500000 0.000000 Rh\n0.239281 -0.000000 -0.000000 Rh\n0.500717 0.835005 0.741878 Rh\n0.758840 0.593128 0.258122 Rh\n0.500716 0.406872 0.741878 Rh\n0.758840 0.164994 0.258122 Rh\n",
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{
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"structure_string": "Sr2 Ce2 N4\n1.0\n6.005683 0.108347 4.246546\n3.083813 3.789037 8.472356\n0.036639 0.053679 6.317848\nSr Ce N\n2 2 4\ndirect\n0.000719 0.989669 0.007987 Sr\n0.749581 0.489665 0.010257 Sr\n0.248298 0.482516 0.016325 Ce\n0.498300 0.982550 0.016198 Ce\n0.277834 0.038032 0.407438 N\n0.034674 0.488479 0.457197 N\n0.731439 0.988598 0.563323 N\n0.474514 0.537997 0.514133 N\n",
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{
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"structure_string": "Te4 P4 Cl36\n1.0\n10.528089 -0.072478 -5.688156\n-6.881076 9.784162 -0.349264\n-0.136025 0.072478 11.965670\nTe P Cl\n4 4 36\ndirect\n0.095415 0.248545 0.346870 Te\n0.543782 0.827443 0.216339 Te\n0.901675 0.748545 0.653130 Te\n0.611104 0.327443 0.783661 Te\n0.507146 0.794510 0.732167 P\n0.062343 0.294510 0.787364 P\n0.062343 0.774979 0.267833 P\n0.507146 0.274979 0.212636 P\n0.093799 0.949767 0.644032 Cl\n0.514853 0.259699 0.378530 Cl\n0.687077 0.955057 0.897694 Cl\n0.271166 0.644535 0.126632 Cl\n0.911539 0.901618 0.815132 Cl\n0.057364 0.455057 0.767980 Cl\n0.911539 0.596407 0.509920 Cl\n0.687077 0.289383 0.232020 Cl\n0.301737 0.225207 0.576530 Cl\n0.513629 0.438829 0.182248 Cl\n0.058668 0.612390 0.301512 Cl\n0.881170 0.136323 0.621470 Cl\n0.256581 0.938829 0.425200 Cl\n0.529350 0.976176 0.357038 Cl\n0.895032 0.248892 0.146140 Cl\n0.086486 0.401618 0.490080 Cl\n0.305735 0.449767 0.355968 Cl\n0.529350 0.672312 0.053174 Cl\n0.858312 0.016641 0.341671 Cl\n0.619139 0.172313 0.642962 Cl\n0.489848 0.939358 0.050490 Cl\n0.102752 0.748892 0.853860 Cl\n0.310879 0.112390 0.053722 Cl\n0.619139 0.476176 0.946826 Cl\n0.513629 0.831380 0.574800 Cl\n0.881170 0.759699 0.244847 Cl\n0.517904 0.144535 0.873369 Cl\n0.674970 0.516641 0.658329 Cl\n0.514853 0.636323 0.755153 Cl\n0.310879 0.757156 0.698489 Cl\n0.256581 0.331381 0.817752 Cl\n0.648677 0.725207 0.423470 Cl\n0.888868 0.439358 0.949509 Cl\n0.086486 0.096407 0.184868 Cl\n0.058669 0.257157 0.946278 Cl\n0.057363 0.789383 0.102307 Cl\n",
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"structure_string": "Tl2 C2 N2 O2\n1.0\n5.225962 -0.045922 -2.272973\n-2.253789 4.706099 -2.291782\n0.035462 0.045922 5.698757\nTl C N O\n2 2 2 2\ndirect\n0.235710 -0.000000 0.235710 Tl\n0.735710 0.500000 0.235711 Tl\n0.005490 0.249229 0.754720 C\n0.505490 0.750771 0.756263 C\n0.143300 0.116666 0.759966 N\n0.643300 0.883335 0.026634 N\n0.865498 0.386136 0.751636 O\n0.365498 0.613864 0.479364 O\n",
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{
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"created_at": "2022-09-04T14:36:36.389865Z",
"updated_at": "2022-09-04T14:36:36.389892Z",
"structure_string": "Si2 Sn2 N4\n1.0\n4.389389 0.000000 2.335809\n1.533058 4.449958 2.411233\n0.002014 -0.000093 5.288330\nSi Sn N\n2 2 4\ndirect\n0.620143 0.879475 0.879475 Si\n0.879094 0.120526 0.120525 Si\n0.178609 0.369720 0.369719 Sn\n0.418047 0.630282 0.630280 Sn\n0.935036 0.909674 0.909672 N\n0.254383 0.090327 0.090327 N\n0.627345 0.500000 -0.000000 N\n0.627343 0.000000 0.500000 N\n",
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{
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"created_at": "2022-09-04T14:36:36.933292Z",
"updated_at": "2022-09-04T14:36:36.933317Z",
"structure_string": "Ca4 Al4 O10\n1.0\n4.986001 -0.000000 -1.687904\n-0.610526 5.101164 -1.803472\n-0.016642 -0.023367 8.159015\nCa Al O\n4 4 10\ndirect\n0.396707 0.867806 0.785251 Ca\n0.896710 0.417443 0.785252 Ca\n0.111458 0.582556 0.214748 Ca\n0.611458 0.132193 0.214749 Ca\n0.295632 0.176424 0.500000 Al\n0.795631 0.823575 0.500000 Al\n0.496895 0.500000 0.000000 Al\n0.996895 0.000000 0.000000 Al\n0.121794 0.198957 0.282150 O\n0.737143 0.241676 0.978166 O\n0.621791 0.583193 0.282148 O\n0.633049 0.114132 0.500000 O\n0.133048 0.885867 0.499999 O\n0.258977 0.763511 0.021834 O\n0.237143 0.236488 0.978165 O\n0.758976 0.758323 0.021834 O\n0.339644 0.416805 0.717852 O\n0.839643 0.801042 0.717849 O\n",
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}