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{
"id": "jvasp-13272",
"created_at": "2022-09-04T14:38:17.379008Z",
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"structure_string": "Li7 Os1 O6\n1.0\n5.304765 -0.004606 0.002790\n-2.643068 4.703320 -0.005795\n-2.529389 -1.527985 4.987132\nLi Os O\n7 1 6\ndirect\n0.383792 0.857081 0.622111 Li\n0.742694 0.359008 0.045289 Li\n0.851345 0.761115 0.345788 Li\n0.149992 0.256699 0.626670 Li\n0.292329 0.633977 0.996964 Li\n0.594742 0.103994 0.359540 Li\n0.700163 0.506967 0.617288 Li\n0.003643 0.010027 0.001405 Os\n0.152284 0.780033 0.229752 O\n0.545008 0.632195 0.794962 O\n0.116286 0.901181 0.739742 O\n0.855084 0.090276 0.238663 O\n0.470972 0.373434 0.223858 O\n0.839651 0.235004 0.758972 O\n",
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{
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"nsites": 50,
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{
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"created_at": "2022-09-04T14:35:43.810989Z",
"updated_at": "2022-09-04T14:35:43.811015Z",
"structure_string": "Ti2 Fe2 H4\n1.0\n0.000000 2.632958 0.000000\n0.656415 0.000000 5.171912\n5.213145 0.000000 -0.042895\nTi Fe H\n2 2 4\ndirect\n0.000000 0.722549 0.777471 Ti\n0.000000 0.277451 0.222529 Ti\n0.000000 0.232508 0.732491 Fe\n0.000000 0.767493 0.267509 Fe\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 -0.000000 H\n",
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{
"id": "jvasp-111962",
"created_at": "2022-09-04T14:38:41.535871Z",
"updated_at": "2022-09-04T14:38:41.535889Z",
"structure_string": "Li3 Mn2 Co2 O8\n1.0\n2.838060 0.018268 -0.032808\n-0.031932 4.878586 -0.069299\n0.105763 0.048409 9.618496\nLi Mn Co O\n3 2 2 8\ndirect\n0.616227 0.798058 0.240594 Li\n0.117964 0.949510 0.742970 Li\n0.116416 0.293979 0.240348 Li\n0.616065 0.457113 0.991030 Mn\n0.117412 0.302165 0.503498 Mn\n0.617399 0.798959 0.495130 Co\n0.116056 0.958181 0.001813 Co\n0.116253 0.621520 0.109504 O\n0.617593 0.126107 0.606195 O\n0.617175 0.460154 0.386275 O\n0.615903 0.794159 0.894777 O\n0.616235 0.131081 0.110460 O\n0.117566 0.640861 0.598707 O\n0.117172 0.970038 0.385847 O\n0.115925 0.280967 0.893354 O\n",
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{
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"structure_string": "Li6 Fe2 O4 F4\n1.0\n0.000000 5.019422 -0.022441\n5.901292 0.000000 0.000000\n0.000000 -1.593802 -4.789475\nLi Fe O F\n6 2 4 4\ndirect\n0.500000 0.123997 0.749999 Li\n0.500000 0.634651 0.749999 Li\n0.000000 0.379613 0.749999 Li\n0.500000 0.365349 0.250000 Li\n0.500000 0.876002 0.250000 Li\n0.000000 0.620386 0.250000 Li\n0.000000 0.906509 0.749999 Fe\n0.000000 0.093490 0.250000 Fe\n0.763248 0.874794 0.992159 O\n0.236752 0.874794 0.507839 O\n0.763248 0.125205 0.492160 O\n0.236752 0.125205 0.007840 O\n0.251239 0.619073 0.998439 F\n0.251239 0.380926 0.498440 F\n0.748760 0.619073 0.501559 F\n0.748760 0.380926 0.001560 F\n",
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{
"id": "jvasp-37534",
"created_at": "2022-09-04T14:38:06.120098Z",
"updated_at": "2022-09-04T14:38:06.120115Z",
"structure_string": "Sn1 H8 N2 F6\n1.0\n3.034558 -5.256008 0.000000\n3.034558 5.256008 -0.000000\n-0.000000 0.000000 4.732017\nSn H N F\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.517332 0.758666 0.615977 H\n0.241335 0.482669 0.615977 H\n0.241335 0.758666 0.615977 H\n0.333333 0.666667 0.912237 H\n0.758666 0.517332 0.384024 H\n0.482669 0.241335 0.384024 H\n0.666667 0.333333 0.087763 H\n0.758666 0.241335 0.384024 H\n0.666667 0.333333 0.306237 N\n0.333333 0.666667 0.693763 N\n0.316498 0.158249 0.763694 F\n0.158249 0.841752 0.236307 F\n0.683503 0.841752 0.236307 F\n0.158249 0.316498 0.236307 F\n0.841752 0.683503 0.763694 F\n0.841752 0.158249 0.763694 F\n",
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{
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"structure_string": "Li2 Ti1 Cr1 O4\n1.0\n0.000000 4.956471 -0.006052\n2.927145 0.000000 0.000000\n0.000000 -1.660713 -4.894063\nLi Ti Cr O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 -0.000000 Li\n0.500000 0.000000 0.499999 Ti\n0.000000 0.499999 0.500000 Cr\n0.761651 0.000000 0.266911 O\n0.255742 0.499999 0.262200 O\n0.238349 0.000000 0.733088 O\n0.744259 0.499999 0.737799 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
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"structure_string": "Mn1 H2 O2\n1.0\n3.330078 -0.009640 0.060488\n-1.652964 2.882926 -0.211295\n-0.083577 0.287782 4.612328\nMn H O\n1 2 2\ndirect\n0.087723 0.012407 0.977932 Mn\n0.420960 0.679222 0.534584 H\n0.754547 0.346062 0.421255 H\n0.420868 0.678779 0.746002 O\n0.754542 0.346052 0.209837 O\n",
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{
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"structure_string": "Li2 Ni3 O3 F2\n1.0\n2.920377 0.077164 -10.555789\n0.020481 2.921325 -10.555789\n-0.075681 -0.077164 10.952057\nLi Ni O F\n2 3 3 2\ndirect\n0.701611 0.701608 -0.000002 Li\n0.298390 0.298389 -0.000001 Li\n0.899978 0.899975 -0.000002 Ni\n0.500000 0.499998 -0.000001 Ni\n0.100023 0.100022 -0.000000 Ni\n0.399163 0.399161 -0.000001 O\n0.000000 0.000000 0.000000 O\n0.600838 0.600836 -0.000002 O\n0.204769 0.204769 -0.000001 F\n0.795231 0.795228 -0.000002 F\n",
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{
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{
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"structure_string": "Ca2 B4 H16\n1.0\n6.681793 0.000000 0.000000\n-0.000000 6.681793 0.000000\n0.000000 0.000000 4.374157\nCa B H\n2 4 16\ndirect\n0.500000 -0.000000 0.022547 Ca\n0.000000 0.500000 0.522547 Ca\n0.684786 0.220521 0.522545 B\n0.315214 0.779478 0.522545 B\n0.220521 0.315214 0.022545 B\n0.779478 0.684786 0.022545 B\n0.489779 0.833908 0.522554 H\n0.510220 0.166092 0.522554 H\n0.841004 0.774324 0.249709 H\n0.158995 0.225675 0.249709 H\n0.225675 0.841004 0.749709 H\n0.774324 0.158995 0.749709 H\n0.840956 0.774297 0.795331 H\n0.774297 0.159043 0.295331 H\n0.225703 0.840956 0.295331 H\n0.166092 0.489779 0.022554 H\n0.597080 0.673651 0.022589 H\n0.402919 0.326348 0.022589 H\n0.326348 0.597080 0.522589 H\n0.673651 0.402919 0.522589 H\n0.159043 0.225703 0.795331 H\n0.833908 0.510220 0.022554 H\n",
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}