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{
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{
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"structure_string": "Cs8 Mo4 Se16\n1.0\n7.610665 0.000000 0.000000\n0.000000 10.665942 0.000000\n0.000000 0.000000 13.477162\nCs Mo Se\n8 4 16\ndirect\n0.750000 0.453686 0.657878 Cs\n0.250000 0.046314 0.157878 Cs\n0.750000 0.953686 0.842122 Cs\n0.250000 0.546314 0.342122 Cs\n0.750000 0.166714 0.390018 Cs\n0.250000 0.333286 0.890018 Cs\n0.750000 0.666714 0.109982 Cs\n0.250000 0.833286 0.609982 Cs\n0.750000 0.257465 0.075232 Mo\n0.250000 0.242535 0.575232 Mo\n0.750000 0.757465 0.424768 Mo\n0.250000 0.742535 0.924768 Mo\n0.750000 0.285893 0.903542 Se\n0.250000 0.214107 0.403542 Se\n0.750000 0.785893 0.596458 Se\n0.250000 0.714107 0.096458 Se\n0.750000 0.542293 0.386521 Se\n0.250000 0.957707 0.886521 Se\n0.750000 0.042293 0.113479 Se\n0.250000 0.457707 0.613479 Se\n0.001595 0.148138 0.642822 Se\n0.998405 0.351862 0.142822 Se\n0.498405 0.648138 0.857178 Se\n0.501595 0.851862 0.357178 Se\n0.998405 0.851862 0.357178 Se\n0.001595 0.648138 0.857178 Se\n0.501595 0.351862 0.142822 Se\n0.498405 0.148138 0.642822 Se\n",
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{
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{
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"created_at": "2022-09-04T14:47:29.785218Z",
"structure_string": "Tl2 Mo6 Se6\n1.0\n4.952686 -8.578304 0.000000\n4.952686 8.578304 0.000000\n0.000000 0.000000 4.515968\nTl Mo Se\n2 6 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.978742 0.834798 0.750000 Mo\n0.856056 0.021258 0.750000 Mo\n0.165202 0.143944 0.750000 Mo\n0.021258 0.165202 0.250000 Mo\n0.143944 0.978742 0.250000 Mo\n0.834798 0.856056 0.250000 Mo\n0.283655 0.957180 0.750000 Se\n0.673525 0.716345 0.750000 Se\n0.042820 0.326475 0.750000 Se\n0.716345 0.042820 0.250000 Se\n0.326475 0.283655 0.250000 Se\n0.957180 0.673525 0.250000 Se\n",
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{
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"structure_string": "H8 N4 O6\n1.0\n4.990737 0.000000 0.000000\n0.000000 5.458610 0.000000\n0.000000 0.000000 5.804185\nH N O\n8 4 6\ndirect\n0.803671 0.500000 0.850754 H\n0.803671 0.500000 0.149246 H\n0.196329 0.000000 0.649246 H\n0.196329 0.000000 0.350754 H\n0.038404 0.345959 0.000000 H\n0.038404 0.654041 0.000000 H\n0.961596 0.154041 0.500000 H\n0.961596 0.845959 0.500000 H\n0.918644 0.500000 0.000000 N\n0.081356 0.000000 0.500000 N\n0.505498 0.500000 0.500000 N\n0.494502 0.000000 0.000000 N\n0.765050 0.500000 0.500000 O\n0.234950 0.000000 0.000000 O\n0.382955 0.500000 0.689651 O\n0.382955 0.500000 0.310349 O\n0.617045 0.000000 0.810349 O\n0.617045 0.000000 0.189651 O\n",
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{
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"structure_string": "Zr2 H72 C32 N8 O32\n1.0\n10.179875 0.000000 0.000000\n0.000000 12.006897 0.000000\n0.000000 4.501411 11.654006\nZr H C N O\n2 72 32 8 32\ndirect\n0.200017 0.940748 0.266865 Zr\n0.700017 0.059252 0.733135 Zr\n0.074428 0.581313 0.437002 H\n0.275202 0.643265 0.079804 H\n0.248013 0.583449 0.424892 H\n0.595864 0.436154 0.068082 H\n0.514611 0.656113 0.136949 H\n0.835776 0.622313 0.626646 H\n0.651096 0.272528 0.996483 H\n0.748013 0.416551 0.575108 H\n0.425811 0.547316 0.208386 H\n0.741116 0.711397 0.068648 H\n0.993051 0.569227 0.107049 H\n0.405099 0.487784 0.389630 H\n0.151096 0.727472 0.003517 H\n0.757748 0.375122 0.105995 H\n0.576072 0.898196 0.020392 H\n0.158392 0.276124 0.482308 H\n0.734473 0.717747 0.192395 H\n0.289254 0.504477 0.696330 H\n0.960363 0.973838 0.502997 H\n0.078342 0.635095 0.194375 H\n0.460363 0.026162 0.497003 H\n0.088775 0.612790 0.610203 H\n0.095864 0.563846 0.931918 H\n0.814023 0.891875 0.554418 H\n0.510579 0.788672 0.935885 H\n0.014611 0.343887 0.863051 H\n0.588775 0.387210 0.389797 H\n0.234473 0.282253 0.807605 H\n0.076072 0.101804 0.979608 H\n0.626993 0.508637 0.805343 H\n0.658392 0.723876 0.517692 H\n0.574428 0.418687 0.562998 H\n0.366480 0.835381 0.853184 H\n0.236168 0.485829 0.009342 H\n0.178420 0.719558 0.515330 H\n0.140157 0.285096 0.353248 H\n0.930292 0.019357 0.983609 H\n0.799311 0.341632 0.314600 H\n0.812211 0.937055 0.141263 H\n0.578342 0.364905 0.805625 H\n0.257748 0.624878 0.894005 H\n0.052900 0.005178 0.759868 H\n0.358723 0.217799 0.283936 H\n0.126993 0.491363 0.194657 H\n0.430292 0.980643 0.016391 H\n0.858723 0.782201 0.716064 H\n0.866480 0.164619 0.146816 H\n0.168961 0.462269 0.537028 H\n0.012673 0.814277 0.763707 H\n0.381381 0.611752 0.583451 H\n0.335776 0.377687 0.373354 H\n0.775202 0.356735 0.920196 H\n0.905099 0.512216 0.610370 H\n0.881381 0.388248 0.416549 H\n0.241116 0.288603 0.931352 H\n0.010579 0.211328 0.064115 H\n0.836739 0.977485 0.263112 H\n0.299311 0.658368 0.685400 H\n0.586681 0.962734 0.387325 H\n0.336739 0.022515 0.736888 H\n0.668961 0.537731 0.462972 H\n0.736168 0.514171 0.990658 H\n0.314023 0.108125 0.445582 H\n0.552900 0.994822 0.240132 H\n0.640157 0.714904 0.646752 H\n0.925811 0.452684 0.791614 H\n0.312211 0.062945 0.858737 H\n0.678420 0.280442 0.484670 H\n0.789254 0.495523 0.303670 H\n0.086681 0.037266 0.612675 H\n0.493051 0.430773 0.892951 H\n0.512673 0.185723 0.236293 H\n0.845336 0.822415 0.867331 C\n0.588738 0.420699 0.857673 C\n0.783005 0.077685 0.481623 C\n0.021507 0.020741 0.030349 C\n0.510236 0.958396 0.326937 C\n0.088738 0.579301 0.142327 C\n0.972445 0.170664 0.653082 C\n0.368843 0.027753 0.449493 C\n0.472445 0.829336 0.346918 C\n0.521507 0.979259 0.969651 C\n0.868843 0.972247 0.550507 C\n0.010236 0.041604 0.673063 C\n0.909182 0.842277 0.751142 C\n0.294039 0.597621 0.638018 C\n0.430920 0.183762 0.721409 C\n0.930920 0.816238 0.278591 C\n0.166134 0.557818 0.485659 C\n0.885896 0.941569 0.203872 C\n0.040349 0.169412 0.242589 C\n0.794039 0.402379 0.361982 C\n0.409182 0.157723 0.248858 C\n0.385896 0.058431 0.796128 C\n0.471936 0.853950 0.855924 C\n0.971936 0.146050 0.144076 C\n0.283005 0.922315 0.518377 C\n0.693063 0.425935 0.035203 C\n0.540349 0.830588 0.757411 C\n0.193063 0.574065 0.964797 C\n0.608443 0.084137 0.964455 C\n0.345336 0.177585 0.132669 C\n0.666134 0.442182 0.514341 C\n0.108443 0.915863 0.035545 C\n0.894717 0.966909 0.669255 N\n0.180920 0.638299 0.046194 N\n0.680920 0.361701 0.953806 N\n0.495555 0.976688 0.853713 N\n0.675749 0.372790 0.437168 N\n0.995555 0.023312 0.146287 N\n0.175749 0.627210 0.562832 N\n0.394717 0.033091 0.330745 N\n0.179812 0.294676 0.867896 O\n0.529941 0.731362 0.747845 O\n0.916228 0.568584 0.649598 O\n0.044102 0.256241 0.597995 O\n0.361306 0.272875 0.707753 O\n0.109477 0.879936 0.952649 O\n0.609477 0.120064 0.047351 O\n0.042742 0.812765 0.330719 O\n0.929438 0.383712 0.864403 O\n0.773755 0.107704 0.376046 O\n0.680755 0.129634 0.873930 O\n0.779829 0.912836 0.875017 O\n0.861306 0.727125 0.292247 O\n0.206082 0.294610 0.408662 O\n0.679812 0.705324 0.132104 O\n0.111757 0.082387 0.310538 O\n0.352460 0.276659 0.054011 O\n0.217940 0.871034 0.457842 O\n0.029941 0.268638 0.252155 O\n0.863053 0.181847 0.702459 O\n0.273755 0.892296 0.623954 O\n0.416228 0.431416 0.350402 O\n0.544102 0.743759 0.402005 O\n0.363053 0.818153 0.297541 O\n0.852460 0.723341 0.945989 O\n0.279829 0.087164 0.124983 O\n0.542742 0.187235 0.669281 O\n0.429438 0.616288 0.135597 O\n0.706082 0.705390 0.591338 O\n0.611757 0.917613 0.689462 O\n0.717940 0.128966 0.542158 O\n0.180755 0.870366 0.126070 O\n",
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{
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}