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{
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{
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"spacegroup": 11
},
{
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"created_at": "2022-09-04T14:43:19.321326Z",
"structure_string": "Ti2 H60 C20 S10 Cl4 O12\n1.0\n-9.834931 0.000000 0.000000\n-0.010602 -10.722260 0.000000\n1.485825 4.192489 12.140349\nTi H C S Cl O\n2 60 20 10 4 12\ndirect\n0.257423 0.593767 0.684476 Ti\n0.742577 0.406233 0.315524 Ti\n0.916745 0.339787 0.839144 H\n0.083255 0.660213 0.160856 H\n0.085145 0.413400 0.892979 H\n0.914855 0.586600 0.107021 H\n0.937265 0.518443 0.900324 H\n0.062735 0.481557 0.099676 H\n0.773239 0.369343 0.666140 H\n0.226761 0.630657 0.333860 H\n0.793819 0.544882 0.742358 H\n0.206181 0.455118 0.257642 H\n0.826622 0.481385 0.598984 H\n0.173378 0.518615 0.401016 H\n0.648370 0.332955 0.847749 H\n0.351630 0.667045 0.152251 H\n0.628164 0.509184 0.907185 H\n0.371836 0.490816 0.092815 H\n0.512507 0.392316 0.933095 H\n0.487493 0.607684 0.066905 H\n0.295882 0.240879 0.660926 H\n0.704118 0.759121 0.339074 H\n0.449715 0.175537 0.710735 H\n0.550285 0.824463 0.289265 H\n0.330392 0.257625 0.806762 H\n0.669608 0.742375 0.193238 H\n0.405285 0.820177 0.508041 H\n0.594715 0.179823 0.491959 H\n0.567920 0.909663 0.562036 H\n0.432080 0.090337 0.437964 H\n0.562249 0.730668 0.501896 H\n0.437751 0.269332 0.498104 H\n0.722672 0.891105 0.727467 H\n0.277328 0.108895 0.272533 H\n0.688355 0.780482 0.803301 H\n0.311645 0.219518 0.196699 H\n0.714903 0.714245 0.658540 H\n0.285097 0.285755 0.341460 H\n0.375816 0.898052 0.127766 H\n0.624184 0.101948 0.872234 H\n0.490699 0.846075 0.023333 H\n0.509301 0.153925 0.976667 H\n0.380625 0.984648 0.028922 H\n0.619375 0.015352 0.971078 H\n0.022207 0.823651 0.951192 H\n0.977793 0.176349 0.048808 H\n0.115679 0.892129 0.085743 H\n0.884321 0.107871 0.914257 H\n0.131828 0.972012 0.983569 H\n0.868172 0.027988 0.016431 H\n0.894842 0.743748 0.504505 H\n0.105158 0.256252 0.495495 H\n0.887453 0.921006 0.568724 H\n0.112547 0.078994 0.431276 H\n0.024696 0.851929 0.485680 H\n0.975304 0.148071 0.514320 H\n0.068792 0.059650 0.722015 H\n0.931208 0.940350 0.277985 H\n0.216772 0.992225 0.777444 H\n0.783228 0.007775 0.222556 H\n0.200140 0.988346 0.635013 H\n0.799860 0.011654 0.364987 H\n0.983857 0.427312 0.853505 C\n0.016143 0.572688 0.146495 C\n0.830389 0.462045 0.677582 C\n0.169611 0.537955 0.322418 C\n0.575004 0.411180 0.874341 C\n0.424996 0.588820 0.125659 C\n0.374582 0.253231 0.731120 C\n0.625418 0.746769 0.268880 C\n0.509052 0.817214 0.548542 C\n0.490948 0.182786 0.451458 C\n0.675329 0.795849 0.722542 C\n0.324671 0.204151 0.277458 C\n0.391234 0.889085 0.042721 C\n0.608766 0.110915 0.957279 C\n0.116628 0.877501 0.997633 C\n0.883372 0.122499 0.002367 C\n0.955043 0.837247 0.541745 C\n0.044957 0.162753 0.458255 C\n0.145968 0.983842 0.703413 C\n0.854032 0.016158 0.296587 C\n0.258792 0.776782 0.954705 S\n0.741208 0.223218 0.045295 S\n0.004051 0.435366 0.720370 S\n0.995949 0.564634 0.279630 S\n0.496634 0.804549 0.681872 S\n0.503366 0.195451 0.318128 S\n0.467140 0.405012 0.752174 S\n0.532860 0.594988 0.247826 S\n0.055729 0.827226 0.662695 S\n0.944271 0.172774 0.337305 S\n0.257244 0.260042 0.005080 Cl\n0.742756 0.739958 0.994920 Cl\n0.245763 0.879091 0.314070 Cl\n0.754237 0.120909 0.685930 Cl\n0.079711 0.571519 0.745913 O\n0.920289 0.428481 0.254087 O\n0.272720 0.777853 0.837905 O\n0.727280 0.222147 0.162095 O\n0.439198 0.661966 0.656226 O\n0.560802 0.338034 0.343774 O\n0.363499 0.514700 0.792832 O\n0.636501 0.485300 0.207168 O\n0.240391 0.454716 0.576329 O\n0.759609 0.545284 0.423671 O\n0.161993 0.724063 0.614963 O\n0.838007 0.275937 0.385037 O\n",
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{
"id": "mp-1214670",
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"structure_string": "Ca8 Be4 Al4 Si18 H4 O56\n1.0\n0.000000 -5.070885 0.000000\n-11.820737 2.535442 0.000000\n0.000000 0.000000 -19.636818\nCa Be Al Si H O\n8 4 4 18 4 56\ndirect\n0.312184 0.165923 0.848077 Ca\n0.687816 0.834077 0.151923 Ca\n0.687816 0.834077 0.348077 Ca\n0.146261 0.834077 0.651923 Ca\n0.312184 0.165923 0.651923 Ca\n0.853739 0.165923 0.348077 Ca\n0.853739 0.165923 0.151923 Ca\n0.146261 0.834077 0.848077 Ca\n0.675128 0.751444 0.750000 Be\n0.324872 0.248556 0.250000 Be\n0.923684 0.248556 0.750000 Be\n0.076316 0.751444 0.250000 Be\n0.595383 0.190766 0.000000 Al\n0.404617 0.809234 0.000000 Al\n0.404617 0.809234 0.500000 Al\n0.595383 0.190766 0.500000 Al\n0.830901 0.661801 0.000000 Si\n0.169099 0.338199 0.000000 Si\n0.169099 0.338199 0.500000 Si\n0.830901 0.661801 0.500000 Si\n0.770013 0.000000 0.750000 Si\n0.229987 0.000000 0.250000 Si\n0.715629 0.000000 0.894996 Si\n0.284371 0.000000 0.105004 Si\n0.284371 0.000000 0.394996 Si\n0.715629 0.000000 0.605004 Si\n0.640525 0.572964 0.856982 Si\n0.359475 0.427036 0.143018 Si\n0.359475 0.427036 0.356982 Si\n0.067561 0.427036 0.643018 Si\n0.640525 0.572964 0.643018 Si\n0.932439 0.572964 0.356982 Si\n0.932439 0.572964 0.143018 Si\n0.067561 0.427036 0.856982 Si\n0.558985 0.313056 0.750000 H\n0.441015 0.686944 0.250000 H\n0.245929 0.686944 0.750000 H\n0.754071 0.313056 0.250000 H\n0.591829 0.236254 0.750000 O\n0.408171 0.763746 0.250000 O\n0.355575 0.763746 0.750000 O\n0.644425 0.236254 0.250000 O\n0.566734 0.000000 0.817004 O\n0.433266 0.000000 0.182996 O\n0.433266 0.000000 0.317004 O\n0.566734 0.000000 0.682996 O\n0.323108 0.529261 0.835750 O\n0.676892 0.470739 0.164250 O\n0.676892 0.470739 0.335750 O\n0.793847 0.470739 0.664250 O\n0.323108 0.529261 0.664250 O\n0.206153 0.529261 0.335750 O\n0.206153 0.529261 0.164250 O\n0.793847 0.470739 0.835750 O\n0.536444 0.885180 0.927762 O\n0.463556 0.114820 0.072238 O\n0.463556 0.114820 0.427762 O\n0.651264 0.114820 0.572238 O\n0.536444 0.885180 0.572238 O\n0.348736 0.885180 0.427762 O\n0.348736 0.885180 0.072238 O\n0.651264 0.114820 0.927762 O\n0.880738 0.882393 0.750000 O\n0.119262 0.117607 0.250000 O\n0.998344 0.117607 0.750000 O\n0.001656 0.882393 0.250000 O\n0.763022 0.691737 0.819278 O\n0.236978 0.308263 0.180722 O\n0.236978 0.308263 0.319278 O\n0.071285 0.308263 0.680722 O\n0.763022 0.691737 0.680722 O\n0.928715 0.691737 0.319278 O\n0.928715 0.691737 0.180722 O\n0.071285 0.308263 0.819278 O\n0.359606 0.261265 0.963207 O\n0.640394 0.738735 0.036793 O\n0.640394 0.738735 0.463207 O\n0.098341 0.738735 0.536793 O\n0.359606 0.261265 0.536793 O\n0.901659 0.261265 0.463207 O\n0.901659 0.261265 0.036793 O\n0.098341 0.738735 0.963207 O\n0.970265 0.000000 0.385986 O\n0.029735 0.000000 0.614014 O\n0.029735 0.000000 0.885986 O\n0.970265 0.000000 0.114014 O\n0.655457 0.586622 0.940244 O\n0.344543 0.413378 0.059756 O\n0.344543 0.413378 0.440244 O\n0.068835 0.413378 0.559756 O\n0.655457 0.586622 0.559756 O\n0.931165 0.586622 0.440244 O\n0.931165 0.586622 0.059756 O\n0.068835 0.413378 0.940244 O\n",
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{
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}