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{
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"structure_string": "Na1 Mg1 Be1\n1.0\n-1.593078 1.593078 6.034049\n1.593078 -1.593078 6.034049\n1.593078 1.593078 -6.034049\nNa Mg Be\n1 1 1\ndirect\n0.647910 0.647910 0.000000 Na\n0.371022 0.371022 0.000000 Mg\n0.981068 0.981068 0.000000 Be\n",
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{
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{
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"structure_string": "Ti1 H16 C9 O4\n1.0\n4.556527 -0.102920 -1.052477\n-2.181343 6.590066 -0.640428\n-0.214904 0.274289 8.627007\nTi H C O\n1 16 9 4\ndirect\n0.154655 0.655174 0.382808 Ti\n0.966116 0.221776 0.969341 H\n0.044569 0.264187 0.404342 H\n0.728853 0.958629 0.439794 H\n0.486781 0.004233 0.560280 H\n0.397931 0.038052 0.351003 H\n0.797887 0.060202 0.783787 H\n0.930784 0.303204 0.196816 H\n0.334085 0.333441 0.294472 H\n0.398563 0.230873 0.701285 H\n0.989038 0.377810 0.690409 H\n0.035819 0.563027 0.847843 H\n0.642809 0.719587 0.911865 H\n0.932667 0.904244 0.062597 H\n0.486480 0.072954 0.056804 H\n0.295889 0.919032 0.866999 H\n0.535303 0.381734 0.892645 H\n0.526237 0.992497 0.954963 C\n0.677840 0.833765 0.014432 C\n0.858462 0.456817 0.744471 C\n0.609070 0.304266 0.802814 C\n0.567879 0.720187 0.144033 C\n0.751661 0.582932 0.619793 C\n0.118476 0.351973 0.310645 C\n0.490833 0.948934 0.439831 C\n0.741370 0.144209 0.877508 C\n0.961992 0.684527 0.554690 O\n0.758503 0.644672 0.234738 O\n0.302174 0.700870 0.162479 O\n0.477147 0.588126 0.583403 O\n",
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{
"id": "jvasp-101844",
"created_at": "2022-09-04T14:36:41.933007Z",
"updated_at": "2022-09-04T14:36:41.933024Z",
"structure_string": "H9 C12 N1 O1\n1.0\n3.615410 -0.094677 -0.748843\n-2.079118 5.929925 -0.516636\n-0.174452 0.024886 9.428193\nH C N O\n9 12 1 1\ndirect\n0.639940 0.063541 0.098289 H\n0.524555 0.406627 0.510596 H\n0.130457 0.689784 0.979954 H\n0.146438 0.607999 0.442408 H\n0.898060 0.957812 0.887891 H\n0.676587 0.416541 0.203635 H\n0.457430 0.759340 0.646825 H\n0.100396 0.253323 0.335683 H\n0.959193 0.601944 0.749209 H\n0.847381 0.417244 0.728863 C\n0.014801 0.069833 0.309480 C\n0.596585 0.302942 0.591766 C\n0.752553 0.963417 0.174087 C\n0.954692 0.292109 0.835893 C\n0.165575 0.947651 0.411661 C\n0.037844 0.711234 0.368693 C\n0.626212 0.726360 0.135107 C\n0.813239 0.054659 0.804040 C\n0.562355 0.944376 0.666877 C\n0.772898 0.600195 0.232893 C\n0.442442 0.064687 0.556618 C\n0.365270 0.632874 0.992769 N\n0.189431 0.387018 0.977677 O\n",
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{
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"created_at": "2022-09-04T14:38:41.585190Z",
"updated_at": "2022-09-04T14:38:41.585210Z",
"structure_string": "H10 C6 N2 O2\n1.0\n4.228194 -0.038838 -0.638672\n-1.206288 5.858627 -1.742040\n-0.056279 0.128345 6.230832\nH C N O\n10 6 2 2\ndirect\n0.887997 0.127571 0.032579 H\n0.250353 0.601263 0.253023 H\n0.720912 0.058858 0.473432 H\n0.720913 0.558862 0.973437 H\n0.720934 0.821749 0.710769 H\n0.250341 0.101275 0.753035 H\n0.888185 0.880606 0.279464 H\n0.888167 0.380607 0.779459 H\n0.888014 0.627578 0.532578 H\n0.720936 0.321754 0.210773 H\n0.956921 0.283374 0.176462 C\n0.956927 0.783378 0.676465 C\n0.956959 0.524565 0.935189 C\n0.956965 0.024567 0.435192 C\n0.124168 0.730997 0.882832 C\n0.124169 0.230998 0.382831 C\n0.152431 0.462816 0.114668 N\n0.152434 0.962826 0.614677 N\n0.372888 0.857352 0.009151 O\n0.372888 0.357355 0.509146 O\n",
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{
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"structure_string": "Ca4\n1.0\n-0.000000 0.000000 -6.496639\n-3.667652 -3.667652 -3.248319\n-3.667652 3.667652 -3.248319\nCa\n4\ndirect\n0.170282 0.159437 0.500000 Ca\n0.829719 0.840563 0.500000 Ca\n0.329719 0.500000 0.840563 Ca\n0.670282 0.500000 0.159437 Ca\n",
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{
"id": "jvasp-101786",
"created_at": "2022-09-04T14:36:52.709630Z",
"updated_at": "2022-09-04T14:36:52.709667Z",
"structure_string": "H12 C12 O4\n1.0\n4.454815 0.007912 -0.823621\n-2.092414 5.316831 -0.423419\n-0.242467 -0.121704 10.195111\nH C O\n12 12 4\ndirect\n0.540024 0.593849 0.906958 H\n0.764398 0.240083 0.514576 H\n0.235601 0.759917 0.485424 H\n0.187567 0.356187 0.581481 H\n0.066021 0.077556 0.369369 H\n0.933978 0.922444 0.630631 H\n0.812432 0.643813 0.418519 H\n0.742718 0.605417 0.660285 H\n0.987629 0.620977 0.105796 H\n0.012370 0.379024 0.894204 H\n0.459975 0.406151 0.093041 H\n0.257281 0.394583 0.339715 H\n0.518048 0.016329 0.223014 C\n0.996143 0.365109 0.498271 C\n0.003856 0.634891 0.501729 C\n0.046307 0.262457 0.366389 C\n0.953692 0.737543 0.633611 C\n0.481951 0.983672 0.776986 C\n0.989999 0.785239 0.058263 C\n0.739571 0.771487 0.949497 C\n0.252652 0.013079 0.108471 C\n0.747347 0.986921 0.891529 C\n0.010000 0.214761 0.941737 C\n0.260428 0.228513 0.050503 C\n0.226207 0.762410 0.748007 O\n0.494316 0.163024 0.716549 O\n0.505683 0.836976 0.283450 O\n0.773793 0.237590 0.251992 O\n",
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{
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"structure_string": "Li1 Mg1 H14 Cl3 O7\n1.0\n6.533274 0.020310 0.198452\n0.221460 6.532541 0.271010\n-0.010103 0.062750 6.742811\nLi Mg H Cl O\n1 1 14 3 7\ndirect\n0.568219 0.563998 0.582003 Li\n0.150978 0.154642 0.149390 Mg\n0.709917 0.874679 0.722629 H\n0.883342 0.702556 0.719237 H\n0.114807 0.792087 0.346085 H\n0.346922 0.122559 0.796050 H\n0.117154 0.378377 0.489048 H\n0.386965 0.499224 0.116313 H\n0.790981 0.367455 0.114234 H\n0.918873 0.803003 0.215562 H\n0.800548 0.230361 0.927537 H\n0.213896 0.927633 0.810069 H\n0.940941 0.220982 0.498472 H\n0.228175 0.512629 0.942790 H\n0.505298 0.931153 0.228422 H\n0.496445 0.112209 0.373931 H\n0.212619 0.648590 0.638374 Cl\n0.642078 0.628168 0.242973 Cl\n0.637574 0.206029 0.648926 Cl\n0.866078 0.251248 0.053902 O\n0.437645 0.065621 0.252135 O\n0.262893 0.437955 0.068188 O\n0.071597 0.253779 0.430133 O\n0.734223 0.725333 0.734118 O\n0.229035 0.061183 0.867620 O\n0.051954 0.865804 0.231112 O\n",
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{
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"structure_string": "Li2 Mg6\n1.0\n6.317607 0.000000 -0.000000\n-3.158803 5.471209 0.000000\n-0.000000 0.000000 5.040153\nLi Mg\n2 6\ndirect\n0.333334 0.666667 0.250000 Li\n0.666667 0.333333 0.749999 Li\n0.831293 0.168707 0.250000 Mg\n0.831294 0.662586 0.250000 Mg\n0.337415 0.168707 0.250000 Mg\n0.662586 0.831293 0.749999 Mg\n0.168708 0.831293 0.749999 Mg\n0.168708 0.337415 0.749999 Mg\n",
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{
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"structure_string": "Ti1 H14 C8 O4\n1.0\n4.890404 -0.010637 0.419030\n0.836991 6.284288 -0.026966\n-0.111589 -0.209306 7.873858\nTi H C O\n1 14 8 4\ndirect\n0.256981 0.725943 0.208938 Ti\n0.967458 0.278209 0.821344 H\n0.283155 0.321262 0.296717 H\n0.453682 0.259476 0.890495 H\n0.378729 0.490932 0.777602 H\n-0.084038 0.010716 0.031692 H\n0.626634 0.303522 0.511754 H\n0.879132 0.514829 0.716535 H\n0.241792 0.927817 0.912577 H\n0.599521 0.895650 0.709235 H\n0.915290 -0.007150 0.642215 H\n0.221092 0.114839 0.092587 H\n0.921705 0.420856 0.315253 H\n0.144067 0.501681 0.471115 H\n0.326887 0.199387 0.586602 H\n0.807023 0.415961 0.819040 C\n0.529925 0.348117 0.783389 C\n0.538220 0.216503 0.616521 C\n0.699539 -0.009363 0.614484 C\n0.816264 0.541926 0.984929 C\n0.128485 0.458715 0.335988 C\n0.139316 0.975151 0.039307 C\n0.693379 0.888464 0.438904 C\n0.907779 0.866694 0.339141 O\n0.047550 0.580810 0.023784 O\n0.590334 0.604944 0.079130 O\n0.460026 0.838651 0.396167 O\n",
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"structure_string": "Li2 H1 N1\n1.0\n3.626715 0.189906 -0.132215\n1.977820 3.045875 -0.132215\n1.760224 1.016266 2.874436\nLi H N\n2 1 1\ndirect\n0.202142 0.219453 0.289202 Li\n0.780545 0.797861 0.710796 Li\n0.741823 0.258178 -0.000002 H\n0.055484 0.944518 -0.000001 N\n",
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]
}