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{
"id": "jvasp-47023",
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"structure_string": "Li2 V4 O2 F10\n1.0\n0.000000 4.667090 0.019733\n4.671661 0.000000 0.000000\n0.000000 -4.584676 -9.173147\nLi V O F\n2 4 2 10\ndirect\n0.000547 0.757264 0.000762 Li\n0.000547 0.242736 0.500762 Li\n0.355201 0.273832 0.834548 V\n0.671093 0.742407 0.679659 V\n0.355201 0.726168 0.334548 V\n0.671093 0.257593 0.179659 V\n0.602295 0.542804 0.812401 O\n0.602296 0.457196 0.312401 O\n0.363968 0.949266 0.168174 F\n0.039078 0.039404 0.331094 F\n0.306094 0.553192 0.502031 F\n0.694716 0.938545 0.504020 F\n0.306094 0.446808 0.002031 F\n0.967009 0.445748 0.667313 F\n0.039077 0.960596 0.831094 F\n0.967009 0.554252 0.167313 F\n0.363968 0.050734 0.668174 F\n0.694717 0.061455 0.004020 F\n",
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{
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"structure_string": "Li10 W2 N2 O8\n1.0\n4.595018 2.455129 0.000000\n-4.595018 2.455129 0.000000\n0.000000 0.000000 9.626159\nLi W N O\n10 2 2 8\ndirect\n0.234708 0.800034 0.995572 Li\n0.199967 0.765292 0.495572 Li\n0.438163 0.823535 0.743201 Li\n0.176465 0.561837 0.243201 Li\n0.427176 0.427176 0.472946 Li\n0.572824 0.572824 0.972946 Li\n0.823535 0.438163 0.743201 Li\n0.561837 0.176465 0.243201 Li\n0.800034 0.234708 0.995572 Li\n0.765292 0.199967 0.495572 Li\n0.182590 0.182590 0.751036 W\n0.817410 0.817410 0.251036 W\n0.178533 0.178533 0.267556 N\n0.821467 0.821467 0.767556 N\n0.541908 0.837938 0.379622 O\n0.162062 0.458092 0.879622 O\n0.578772 0.871840 0.111071 O\n0.128160 0.421228 0.611071 O\n0.871840 0.578772 0.111071 O\n0.421228 0.128160 0.611071 O\n0.837938 0.541908 0.379622 O\n0.458092 0.162062 0.879622 O\n",
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{
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"structure_string": "La2 Ge4 Pd2 Rh2\n1.0\n4.302417 -0.000000 0.000000\n0.000000 4.302417 0.000000\n-0.000000 -0.000000 10.430651\nLa Ge Pd Rh\n2 4 2 2\ndirect\n-0.000000 0.500000 0.252015 La\n0.500000 0.000000 0.747985 La\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n-0.000000 0.500000 0.876602 Ge\n0.500000 0.000000 0.123398 Ge\n-0.000000 0.500000 0.634837 Pd\n0.500000 0.000000 0.365163 Pd\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 -0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:10.527483Z",
"updated_at": "2022-09-04T14:38:10.527504Z",
"structure_string": "Li2 Cr3 Fe1 O8\n1.0\n5.730166 -0.047733 -0.033753\n2.823745 4.986336 -0.033753\n2.823745 1.630290 4.712413\nLi Cr Fe O\n2 3 1 8\ndirect\n0.124553 0.124553 0.124552 Li\n0.875449 0.875449 0.875448 Li\n0.000001 0.500000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.500000 0.500001 0.000001 Cr\n0.500001 0.500001 0.500000 Fe\n0.261656 0.261656 0.261656 O\n0.263677 0.263677 0.713212 O\n0.263677 0.713212 0.263677 O\n0.713212 0.263677 0.263677 O\n0.286789 0.736324 0.736324 O\n0.736325 0.286789 0.736324 O\n0.736324 0.736324 0.286789 O\n0.738345 0.738345 0.738344 O\n",
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{
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"structure_string": "Cu2 W2 O6 F4\n1.0\n0.000000 3.733931 0.021676\n9.670615 0.000000 0.000000\n0.000000 -1.443131 -5.060031\nCu W O F\n2 2 6 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.784827 0.250000 0.968874 W\n0.215173 0.750000 0.031125 W\n0.124626 0.608341 0.808007 O\n0.875374 0.391659 0.191992 O\n0.875374 0.108341 0.191992 O\n0.255338 0.250000 0.888267 O\n0.744662 0.750000 0.111732 O\n0.124626 0.891660 0.808007 O\n0.345632 0.888733 0.357415 F\n0.654368 0.111267 0.642585 F\n0.654368 0.388733 0.642585 F\n0.345632 0.611267 0.357415 F\n",
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{
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"created_at": "2022-09-04T14:38:04.842883Z",
"updated_at": "2022-09-04T14:38:04.842907Z",
"structure_string": "Ca2 H8 S2 O12\n1.0\n5.640635 0.000000 0.110188\n-2.820318 7.659719 -0.055094\n2.673788 0.000000 5.747731\nCa H S O\n2 8 2 12\ndirect\n0.324520 0.149042 0.250000 Ca\n0.675478 0.850958 0.750001 Ca\n0.099787 0.655473 0.029609 H\n0.055687 0.655473 0.470392 H\n0.244640 0.493075 0.474298 H\n0.251566 0.506925 0.974298 H\n0.748432 0.493075 0.025703 H\n0.755358 0.506925 0.525703 H\n0.944312 0.344527 0.529609 H\n0.900212 0.344527 0.970392 H\n0.330973 0.161946 0.750000 S\n0.669026 0.838054 0.250001 S\n0.421320 0.049318 0.844075 O\n0.145732 0.367208 0.472235 O\n0.578678 0.950682 0.155926 O\n0.429757 0.730046 0.448737 O\n0.278524 0.632792 0.972235 O\n0.127998 0.049318 0.655925 O\n0.800286 0.730046 0.051264 O\n0.199713 0.269954 0.948737 O\n0.872000 0.950682 0.344076 O\n0.721475 0.367208 0.027766 O\n0.570241 0.269954 0.551263 O\n0.854267 0.632792 0.527766 O\n",
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{
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"created_at": "2022-09-04T14:38:25.826144Z",
"updated_at": "2022-09-04T14:38:25.826160Z",
"structure_string": "Li3 Fe1 Co4 O8\n1.0\n4.955021 -0.002065 -2.792925\n-1.594910 4.752747 -2.833413\n-0.035358 -0.050128 5.729467\nLi Fe Co O\n3 1 4 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500001 Li\n0.500000 0.000001 0.000001 Fe\n0.500000 0.500001 0.000001 Co\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.500001 0.500001 Co\n0.739844 0.257649 0.479697 O\n0.720356 0.740575 -0.025264 O\n0.254399 0.740579 0.974739 O\n0.256349 0.277790 0.512683 O\n0.743651 0.722212 0.487319 O\n0.745601 0.259423 0.025263 O\n0.279644 0.259427 0.025267 O\n0.260156 0.742352 0.520305 O\n",
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{
"id": "jvasp-54932",
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"structure_string": "Mg3 Al8 Fe1 Si6\n1.0\n3.399973 -5.888926 0.000000\n3.399973 5.888926 0.000000\n0.000000 0.000000 7.663752\nMg Al Fe Si\n3 8 1 6\ndirect\n-0.000000 0.574991 0.500000 Mg\n0.425008 0.425008 0.500000 Mg\n0.574991 -0.000000 0.500000 Mg\n0.353864 0.353864 0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000001 0.646136 0.000000 Al\n0.666667 0.333332 0.785034 Al\n0.666667 0.333332 0.214965 Al\n0.333332 0.666667 0.214965 Al\n0.333332 0.666667 0.785034 Al\n0.646136 -0.000001 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.245022 0.233737 Si\n0.245022 -0.000000 0.233737 Si\n-0.000000 0.245022 0.766262 Si\n0.754977 0.754977 0.766262 Si\n0.245022 -0.000000 0.766262 Si\n0.754977 0.754977 0.233737 Si\n",
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{
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"created_at": "2022-09-04T14:38:20.408040Z",
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"structure_string": "Li4 Al4 Fe4 O16\n1.0\n5.678600 0.000000 -0.000000\n-0.000000 5.678600 -0.000000\n-0.000000 -0.000000 7.939215\nLi Al Fe O\n4 4 4 16\ndirect\n0.000000 0.234182 0.000000 Li\n0.000000 0.765818 0.500000 Li\n0.234182 0.000000 0.250000 Li\n0.765818 0.000000 0.750000 Li\n0.253887 0.253887 0.625000 Al\n0.253887 0.746113 0.875001 Al\n0.746113 0.253887 0.375000 Al\n0.746113 0.746113 0.125000 Al\n0.760945 0.500000 0.750000 Fe\n0.500000 0.760945 0.500000 Fe\n0.500000 0.239055 0.000000 Fe\n0.239055 0.500000 0.250000 Fe\n0.731941 0.986194 0.490224 O\n0.731941 0.013806 0.009776 O\n0.733878 0.489403 0.988308 O\n0.733878 0.510597 0.511693 O\n0.510597 0.733878 0.738308 O\n0.510597 0.266122 0.761693 O\n0.489403 0.733878 0.261693 O\n0.013806 0.731941 0.240224 O\n0.266122 0.510597 0.488308 O\n0.266122 0.489403 0.011693 O\n0.268059 0.986194 0.509776 O\n0.268059 0.013806 0.990225 O\n0.986194 0.268059 0.740224 O\n0.013806 0.268059 0.259776 O\n0.489403 0.266122 0.238307 O\n0.986194 0.731941 0.759777 O\n",
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{
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"structure_string": "Tm1 H3 C3 O6\n1.0\n5.160391 2.979353 1.301921\n-5.160391 2.979353 1.301921\n0.000000 -5.958707 1.301921\nTm H C O\n1 3 3 6\ndirect\n0.001772 0.001772 0.001772 Tm\n0.839069 0.355062 0.355063 H\n0.355062 0.355062 0.839070 H\n0.355062 0.839069 0.355063 H\n0.144976 0.607164 0.607165 C\n0.607164 0.607164 0.144977 C\n0.607164 0.144976 0.607165 C\n0.278657 0.888571 0.888572 O\n0.888571 0.888571 0.278658 O\n0.888571 0.278657 0.888572 O\n0.341600 0.592662 0.592663 O\n0.592663 0.592663 0.341601 O\n0.592662 0.341600 0.592663 O\n",
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{
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"created_at": "2022-09-04T14:38:19.160571Z",
"updated_at": "2022-09-04T14:38:19.160601Z",
"structure_string": "Ta1 Tl3 Se2 S2\n1.0\n6.513932 0.165117 4.361279\n3.372008 5.641188 2.284049\n-0.057927 0.100961 6.645328\nTa Tl Se S\n1 3 2 2\ndirect\n0.010647 -0.010647 -0.010647 Ta\n0.463104 0.036896 0.036896 Tl\n0.963104 0.536896 0.536896 Tl\n0.518397 0.481603 0.481603 Tl\n0.006411 0.640551 -0.006411 Se\n0.359449 -0.006411 0.640551 Se\n0.011084 -0.011084 0.332199 S\n0.667800 0.332200 -0.011084 S\n",
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{
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"created_at": "2022-09-04T14:38:17.727310Z",
"updated_at": "2022-09-04T14:38:17.727332Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n4.312982 0.004990 0.004571\n-2.150905 -4.903431 0.074909\n-2.144753 0.683281 -11.660274\nLi Fe Si O\n4 3 3 12\ndirect\n0.251116 0.917071 0.579815 Li\n0.754122 0.749308 0.753549 Li\n0.750082 0.422157 0.081918 Li\n0.246098 0.244778 0.251374 Li\n0.501620 0.833508 0.166692 Fe\n0.491699 0.488990 0.496193 Fe\n0.506401 0.177436 0.837116 Fe\n0.995998 0.664798 0.332712 Si\n0.005396 0.333197 0.666663 Si\n0.998569 0.002048 0.000629 Si\n0.866458 0.248176 0.968144 O\n0.343078 0.443043 0.773744 O\n0.337105 0.113532 0.110457 O\n0.650193 0.418623 0.365143 O\n0.113263 0.553422 0.222862 O\n0.108590 0.911885 0.886742 O\n0.888606 0.587772 0.628272 O\n0.896593 0.921417 0.288792 O\n0.309958 0.754684 0.446621 O\n0.126176 0.223370 0.559584 O\n0.686456 0.745514 0.044584 O\n0.672434 0.078606 0.705057 O\n",
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]
}