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{
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{
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"structure_string": "Al2 H2 O4\n1.0\n1.446677 6.032430 -0.000921\n-1.446013 6.032760 -0.000958\n-0.000040 0.000537 3.728896\nAl H O\n2 2 4\ndirect\n0.674221 0.684186 0.269228 Al\n0.313246 0.323141 0.769237 Al\n0.012955 0.022951 0.460423 H\n0.974503 0.984394 0.960420 H\n0.284564 0.294468 0.269894 O\n0.702907 0.712851 0.769890 O\n0.071365 0.081389 0.266644 O\n0.916097 0.925942 0.766654 O\n",
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{
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"structure_string": "Ni2 B2\n1.0\n2.765122 -0.000000 -1.093562\n0.000000 2.977702 0.000000\n-0.031080 0.000000 3.964065\nNi B\n2 2\ndirect\n0.147734 0.749999 0.295468 Ni\n0.852266 0.250000 0.704534 Ni\n0.434531 0.749999 0.869062 B\n0.565468 0.250000 0.130939 B\n",
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{
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"updated_at": "2022-09-04T14:38:43.825632Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.747689 -0.066036 -0.467047\n-0.771591 4.272036 -0.206411\n0.115831 0.025218 11.197997\nCd H C O\n1 10 7 4\ndirect\n0.596912 0.768067 0.800621 Cd\n0.848993 0.552612 0.398370 H\n0.969401 0.516498 0.173523 H\n0.432531 0.518078 0.219853 H\n0.254319 0.032181 0.330832 H\n0.795072 0.027529 0.282938 H\n0.897645 0.973121 0.071509 H\n0.352170 0.971858 0.116625 H\n0.654925 0.030322 0.492187 H\n0.108815 0.041734 0.548625 H\n0.303654 0.544727 0.451509 H\n0.869131 0.370875 0.636676 C\n0.913888 0.192061 0.522304 C\n0.037750 0.393390 0.420656 C\n0.059980 0.186905 0.308258 C\n0.163649 0.364189 0.198334 C\n0.163743 0.130676 0.092143 C\n0.272468 0.254492 0.974663 C\n0.477291 0.522215 0.974480 O\n0.634209 0.250171 0.703248 O\n0.053740 0.649114 0.664157 O\n0.166108 0.067734 0.879259 O\n",
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{
"id": "jvasp-103970",
"created_at": "2022-09-04T14:36:33.007612Z",
"updated_at": "2022-09-04T14:36:33.007645Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.749029 -0.064285 -0.457072\n-0.772384 4.272012 -0.200783\n0.089709 0.008827 11.199257\nCd H C O\n1 10 7 4\ndirect\n0.214424 0.960671 0.799042 Cd\n0.464503 0.744463 0.396579 H\n0.585082 0.708240 0.171707 H\n0.048408 0.710850 0.217972 H\n0.871735 0.225192 0.329266 H\n0.412237 0.219391 0.281444 H\n0.514668 0.165004 0.069861 H\n0.969220 0.164336 0.115111 H\n0.272822 0.222429 0.490896 H\n0.727160 0.235083 0.547005 H\n0.919640 0.738106 0.449543 H\n0.487018 0.563765 0.635091 C\n0.531488 0.384772 0.520749 C\n0.654117 0.585989 0.418894 C\n0.676793 0.379329 0.306619 C\n0.779840 0.556447 0.196576 C\n0.780545 0.322846 0.090504 C\n0.889582 0.446654 0.973041 C\n0.094420 0.714356 0.972850 O\n0.252191 0.443248 0.701770 O\n0.671847 0.841928 0.662456 O\n0.783534 0.259865 0.877660 O\n",
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{
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"structure_string": "Fe3 P2 H16 O16\n1.0\n-4.938370 6.392389 3.545134\n4.915106 -6.392389 1.239739\n4.938370 6.392389 -3.545134\nFe P H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.402552 -0.000000 0.402552 Fe\n0.597448 -0.000000 0.597448 Fe\n0.939260 0.246798 0.307539 P\n0.060741 0.753202 0.692462 P\n0.461172 0.211566 0.190488 H\n0.978922 0.788434 0.249607 H\n0.021078 0.211567 0.750394 H\n0.654515 0.227364 0.175570 H\n0.948205 0.772635 0.427151 H\n0.345485 0.772636 0.824430 H\n0.051795 0.227365 0.572850 H\n0.538828 0.788435 0.809512 H\n0.407164 0.622127 0.040820 H\n0.581307 0.622127 0.214963 H\n0.592836 0.377874 0.959180 H\n0.616702 0.561506 0.672795 H\n0.111290 0.438495 0.055197 H\n0.383298 0.438495 0.327205 H\n0.888711 0.561506 0.944804 H\n0.418693 0.377874 0.785038 H\n0.545214 0.919255 0.823131 O\n0.903876 0.080746 0.625960 O\n0.180341 0.405720 0.981437 O\n0.575718 0.594281 0.774621 O\n0.819659 0.594280 0.018563 O\n0.424282 0.405719 0.225379 O\n0.223145 0.462707 0.441467 O\n0.305047 0.920532 0.615485 O\n0.776855 0.537294 0.558534 O\n0.021240 0.462707 0.239561 O\n0.694953 0.079469 0.384515 O\n0.213931 0.061877 0.847947 O\n0.786070 0.938124 0.152054 O\n0.096124 0.919255 0.374041 O\n0.978761 0.537294 0.760439 O\n0.454786 0.080746 0.176870 O\n",
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"formula_full": "Fe3 P2 H16 O16",
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{
"id": "jvasp-47547",
"created_at": "2022-09-04T14:36:34.041610Z",
"updated_at": "2022-09-04T14:36:34.041632Z",
"structure_string": "Li3 Fe2 Co1 O6\n1.0\n2.834744 0.001985 -0.001195\n-0.004201 5.710417 0.023395\n-1.414336 -1.513720 6.027681\nLi Fe Co O\n3 2 1 6\ndirect\n0.663591 0.334803 0.329175 Li\n0.334035 0.661421 0.670317 Li\n-0.001091 0.998116 0.999760 Li\n0.667565 0.836165 0.337173 Fe\n0.330103 0.160158 0.662424 Fe\n0.998848 0.498161 -0.000206 Co\n0.507192 0.732409 0.016424 O\n0.159393 0.599926 0.320881 O\n0.828118 0.925125 0.658464 O\n0.169550 0.071194 0.341128 O\n0.838266 0.396394 0.678714 O\n0.490516 0.263917 0.983170 O\n",
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{
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"structure_string": "Li1 Fe1 O2\n1.0\n2.710890 -0.000365 4.173855\n1.236217 2.412612 4.173855\n-0.000596 -0.000365 4.976947\nLi Fe O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.499998 0.500001 Fe\n0.241485 0.241483 0.241485 O\n0.758517 0.758512 0.758516 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:35.447509Z",
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"structure_string": "Be12 Cr1\n1.0\n3.823149 0.000000 1.560588\n1.911574 5.063251 0.780294\n-0.001938 0.000000 5.468042\nBe Cr\n12 1\ndirect\n0.709285 0.790714 0.790714 Be\n0.500000 0.000000 0.500000 Be\n-0.000001 0.500000 -0.000000 Be\n0.500000 0.500000 -0.000000 Be\n-0.000000 0.000000 0.500000 Be\n0.347229 0.652769 0.652769 Be\n-0.000001 0.347230 0.652769 Be\n-0.000001 0.652769 0.347230 Be\n0.652769 0.347230 0.347230 Be\n0.290714 0.209286 0.209286 Be\n0.499999 0.790714 0.209286 Be\n0.499999 0.209286 0.790714 Be\n0.000000 0.000000 0.000000 Cr\n",
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"structure_string": "Zn1 H14 C9 O4\n1.0\n4.400044 0.026141 -0.398942\n2.131328 4.367010 0.426338\n0.020921 -0.153837 11.878440\nZn H C O\n1 14 9 4\ndirect\n0.649149 0.067287 0.836342 Zn\n0.147701 0.786205 0.433168 H\n0.809626 0.211050 0.209186 H\n0.485058 0.141282 0.139670 H\n0.556545 0.272746 0.391769 H\n0.220833 0.203593 0.331574 H\n0.805963 0.734764 0.367136 H\n0.285547 0.321695 0.578636 H\n0.815366 0.332291 0.012046 H\n0.612440 0.694501 0.062566 H\n0.375666 0.731656 0.242509 H\n0.050261 0.652853 0.180387 H\n0.933196 0.833866 0.631210 H\n0.572660 0.856108 0.549064 H\n0.926264 0.294490 0.513821 H\n0.281153 0.575448 0.958434 C\n0.588207 0.485996 0.046151 C\n0.556824 0.325009 0.158508 C\n0.306239 0.543447 0.228879 C\n0.032473 0.456551 0.530102 C\n0.060435 0.610288 0.416735 C\n0.811303 0.692718 0.601785 C\n0.704378 0.569054 0.703904 C\n0.298440 0.387120 0.344578 C\n0.260961 0.381346 0.895287 O\n0.547634 0.749899 0.773836 O\n0.759578 0.288510 0.712426 O\n0.040877 0.844761 0.955911 O\n",
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}