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{
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{
"id": "jvasp-20975",
"created_at": "2022-09-04T14:38:30.769999Z",
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"structure_string": "Ba8 Al16 O32\n1.0\n5.279314 -9.144040 -0.000000\n5.279314 9.144040 -0.000000\n0.000000 -0.000000 8.826106\nBa Al O\n8 16 32\ndirect\n0.502361 0.493039 0.758559 Ba\n0.009322 0.502361 0.258559 Ba\n0.493039 0.990677 0.258559 Ba\n0.506960 0.009322 0.758559 Ba\n0.990677 0.497638 0.758559 Ba\n0.497638 0.506960 0.258559 Ba\n0.000000 0.000000 0.744549 Ba\n0.000000 0.000000 0.244549 Ba\n0.823955 0.154571 0.064561 Al\n0.669383 0.823954 0.564561 Al\n0.154572 0.330617 0.564561 Al\n0.845428 0.669383 0.064561 Al\n0.176045 0.845428 0.564561 Al\n0.825854 0.153088 0.451079 Al\n0.672767 0.825854 0.951080 Al\n0.330617 0.176045 0.064561 Al\n0.846912 0.672767 0.451079 Al\n0.327233 0.174146 0.451079 Al\n0.174146 0.846912 0.951080 Al\n0.666667 0.333333 0.948841 Al\n0.333333 0.666667 0.448841 Al\n0.666667 0.333333 0.545103 Al\n0.333333 0.666667 0.045102 Al\n0.153088 0.327233 0.951080 Al\n0.496971 0.181937 0.488112 O\n0.818063 0.315033 0.488112 O\n0.315033 0.496971 0.988112 O\n0.312828 0.312900 0.549853 O\n-0.000073 0.312828 0.049853 O\n0.312901 0.000072 0.049853 O\n0.176921 0.996369 0.478350 O\n0.180552 0.176921 0.978350 O\n0.003630 0.180552 0.478350 O\n0.823078 0.003630 0.978350 O\n0.996369 0.819447 0.978350 O\n0.819447 0.823078 0.478350 O\n0.503028 0.818063 0.988112 O\n0.687099 -0.000073 0.549853 O\n0.181937 0.684966 0.988112 O\n0.318713 0.212436 0.257796 O\n0.678485 0.179400 0.003552 O\n0.499085 0.678485 0.503553 O\n0.179400 0.500914 0.503553 O\n0.820599 0.499085 0.003552 O\n0.500914 0.321514 0.003552 O\n0.321514 0.820599 0.503553 O\n0.787564 0.106277 0.257796 O\n0.681287 0.787564 0.757796 O\n0.106277 0.318713 0.757796 O\n0.893722 0.681287 0.257796 O\n0.687171 0.687099 0.049853 O\n0.212435 0.893722 0.757796 O\n0.666667 0.333333 0.746925 O\n0.333333 0.666667 0.246925 O\n0.684966 0.503028 0.488112 O\n0.000072 0.687171 0.549853 O\n",
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{
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"created_at": "2022-09-04T14:37:32.957517Z",
"updated_at": "2022-09-04T14:37:32.957541Z",
"structure_string": "Ca8 Ga16 S32\n1.0\n11.341124 0.015419 -3.149712\n-6.541787 9.264252 -3.149712\n-0.014293 -0.027637 11.761278\nCa Ga S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.375000 0.625000 0.250000 Ca\n0.625000 0.375000 0.750000 Ca\n0.622711 0.872711 0.745425 Ca\n0.127288 0.377288 0.754575 Ca\n0.377288 0.127288 0.254575 Ca\n0.872711 0.622712 0.245425 Ca\n0.886295 0.863063 0.998830 Ga\n0.531823 0.641004 0.999655 Ga\n0.358995 0.468177 0.500345 Ga\n0.641349 0.032168 0.500345 Ga\n0.468177 0.358995 0.000345 Ga\n0.358650 0.967832 0.499655 Ga\n0.641004 0.531823 0.499655 Ga\n0.032168 0.641349 0.000345 Ga\n0.387466 0.864234 0.001170 Ga\n0.863063 0.886296 0.498830 Ga\n0.135766 0.612534 0.498830 Ga\n0.113704 0.136936 0.001170 Ga\n0.612534 0.135766 0.998830 Ga\n0.136936 0.113704 0.501170 Ga\n0.967832 0.358650 0.999655 Ga\n0.864233 0.387466 0.501170 Ga\n0.087672 0.587345 0.672284 S\n0.084612 0.084939 0.672284 S\n0.412655 0.912328 0.827716 S\n0.915060 0.915387 0.827716 S\n0.815512 0.149330 0.997496 S\n0.084939 0.084612 0.172284 S\n0.151835 0.318016 0.502505 S\n0.850669 0.184488 0.502505 S\n0.681983 0.848165 0.997496 S\n0.184488 0.850670 0.002505 S\n0.848165 0.681983 0.497496 S\n0.149330 0.815512 0.497495 S\n0.318016 0.151835 0.002505 S\n0.159484 0.346509 0.002673 S\n0.343837 0.656811 0.497328 S\n0.653490 0.840516 0.497328 S\n0.343188 0.656162 0.002673 S\n0.587345 0.087672 0.172284 S\n0.840516 0.653490 0.997328 S\n0.346509 0.159484 0.502673 S\n0.656811 0.343837 0.997328 S\n0.585511 0.085177 0.673360 S\n0.411818 0.412150 0.826641 S\n0.914822 0.414489 0.826641 S\n0.587849 0.588182 0.673360 S\n0.414489 0.914822 0.326641 S\n0.588182 0.587849 0.173360 S\n0.085177 0.585511 0.173359 S\n0.412150 0.411818 0.326641 S\n0.912328 0.412655 0.327716 S\n0.656162 0.343189 0.502673 S\n0.915387 0.915060 0.327716 S\n",
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{
"id": "jvasp-29810",
"created_at": "2022-09-04T14:37:32.543078Z",
"updated_at": "2022-09-04T14:37:32.543086Z",
"structure_string": "Al8 H24 O24\n1.0\n8.794405 -0.087471 0.110378\n-0.051370 5.066547 0.029346\n0.114734 0.103252 9.349546\nAl H O\n8 24 24\ndirect\n0.332047 0.007640 0.487696 Al\n0.668191 0.011289 0.506502 Al\n0.839188 0.521484 0.507247 Al\n0.168941 0.503551 0.489216 Al\n0.828902 0.966659 0.009376 Al\n0.158363 0.017713 0.987647 Al\n0.329771 0.522404 0.984753 Al\n0.662813 0.459956 0.006411 Al\n0.459358 0.344693 0.203406 H\n0.541523 0.822311 0.884031 H\n0.696384 0.168596 0.795042 H\n0.401780 0.965151 0.100890 H\n0.389830 0.149424 0.819143 H\n0.789129 0.283730 0.219692 H\n0.107873 0.650137 0.814553 H\n0.013509 0.849176 0.209605 H\n0.607578 0.845913 0.182463 H\n0.080705 0.423602 0.122399 H\n0.964280 0.320729 0.885839 H\n0.811724 0.673551 0.798137 H\n0.264185 0.297919 0.278180 H\n0.613252 0.649807 0.694164 H\n0.988770 0.185420 0.380353 H\n0.484919 0.696215 0.376079 H\n0.482637 0.337267 0.615506 H\n0.199498 0.196234 0.699043 H\n0.029613 0.843317 0.611410 H\n0.596789 0.401238 0.369726 H\n0.304492 0.694963 0.697478 H\n0.891594 0.147546 0.679614 H\n0.233761 0.802749 0.274176 H\n0.791527 0.798970 0.298518 H\n0.191121 0.718791 0.872056 O\n0.984148 0.129945 0.884847 O\n0.800828 0.272760 0.114997 O\n0.823875 0.647465 0.901405 O\n0.175901 0.334638 0.097633 O\n0.315076 0.840831 0.092809 O\n0.670381 0.140967 0.897579 O\n0.514119 0.631704 0.883677 O\n0.478695 0.346349 0.099886 O\n0.004658 0.854482 0.105581 O\n0.687318 0.705394 0.618391 O\n0.822141 0.836544 0.397257 O\n0.192861 0.818798 0.373419 O\n0.808116 0.210856 0.621220 O\n0.323289 0.679663 0.593637 O\n0.693587 0.326548 0.394821 O\n0.177847 0.177596 0.596409 O\n0.490843 0.146031 0.603636 O\n0.507728 0.885290 0.380698 O\n-0.002123 0.377268 0.390909 O\n0.010589 0.651293 0.609539 O\n0.301817 0.221795 0.870094 O\n0.318464 0.324467 0.369343 O\n0.688204 0.764130 0.125238 O\n",
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{
"id": "jvasp-96563",
"created_at": "2022-09-04T14:35:56.733253Z",
"updated_at": "2022-09-04T14:35:56.733270Z",
"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n",
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{
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"created_at": "2022-09-04T14:36:19.891164Z",
"updated_at": "2022-09-04T14:36:19.891181Z",
"structure_string": "As4 I4 F48\n1.0\n9.302260 -0.000000 0.000000\n0.000000 9.302260 0.000000\n0.000000 0.000000 9.302260\nAs I F\n4 4 48\ndirect\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 I\n0.500000 0.000000 0.500000 I\n0.500000 0.500000 0.000000 I\n0.000000 0.500000 0.500000 I\n0.855789 0.561960 0.108766 F\n0.382043 0.643710 0.936211 F\n0.143710 0.936211 0.117957 F\n0.438040 0.891234 0.144211 F\n0.143710 0.563789 0.617957 F\n0.144211 0.061960 0.391234 F\n0.391234 0.144211 0.061960 F\n0.891234 0.144211 0.438040 F\n0.063789 0.882043 0.856290 F\n0.856290 0.436211 0.382043 F\n0.563789 0.617957 0.143710 F\n0.608766 0.855789 0.938040 F\n0.117957 0.356290 0.436211 F\n0.644211 0.438040 0.608766 F\n0.436211 0.382043 0.856290 F\n0.355789 0.561960 0.391234 F\n0.938040 0.608766 0.855789 F\n0.617957 0.143710 0.563789 F\n0.936211 0.382043 0.643710 F\n0.938040 0.891234 0.355789 F\n0.391234 0.355789 0.561960 F\n0.608766 0.644211 0.438040 F\n0.561960 0.108766 0.855789 F\n0.855789 0.938040 0.608766 F\n0.063789 0.617957 0.356290 F\n0.882043 0.643710 0.563789 F\n0.438040 0.608766 0.644211 F\n0.891234 0.355789 0.938040 F\n0.117957 0.143710 0.936211 F\n0.356290 0.436211 0.117957 F\n0.382043 0.856290 0.436211 F\n0.355789 0.938040 0.891234 F\n0.061960 0.391234 0.144211 F\n0.356290 0.063789 0.617957 F\n0.882043 0.856290 0.063789 F\n0.061960 0.108766 0.644211 F\n0.561960 0.391234 0.355789 F\n0.856290 0.063789 0.882043 F\n0.436211 0.117957 0.356290 F\n0.144211 0.438040 0.891234 F\n0.643710 0.563789 0.882043 F\n0.643710 0.936211 0.382043 F\n0.644211 0.061960 0.108766 F\n0.617957 0.356290 0.063789 F\n0.108766 0.855789 0.561960 F\n0.936211 0.117957 0.143710 F\n0.108766 0.644211 0.061960 F\n0.563789 0.882043 0.643710 F\n",
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{
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"updated_at": "2022-09-04T14:36:19.388447Z",
"structure_string": "Ca4 Mo20 O32\n1.0\n7.117117 0.000000 -2.601842\n0.000000 9.111452 0.000000\n-0.010052 0.000000 10.024170\nCa Mo O\n4 20 32\ndirect\n0.266444 0.504119 0.523883 Ca\n0.733556 0.004119 0.976117 Ca\n0.733556 0.495881 0.476117 Ca\n0.266444 0.995881 0.023884 Ca\n0.000006 0.622843 0.086820 Mo\n0.383435 0.614833 0.181566 Mo\n0.188469 0.134258 0.699113 Mo\n0.188469 0.365742 0.199112 Mo\n0.811531 0.865742 0.300888 Mo\n0.175962 0.627376 0.886658 Mo\n0.824039 0.372624 0.113343 Mo\n0.824039 0.127376 0.613343 Mo\n0.811531 0.634258 0.800888 Mo\n0.616565 0.114833 0.318434 Mo\n0.616567 0.385167 0.818434 Mo\n0.383435 0.885167 0.681566 Mo\n0.609938 0.614830 0.984213 Mo\n0.390063 0.114829 0.515787 Mo\n0.390063 0.385171 0.015787 Mo\n0.609938 0.885170 0.484213 Mo\n0.000006 0.877157 0.586820 Mo\n-0.000006 0.377156 0.913180 Mo\n0.175962 0.872623 0.386657 Mo\n-0.000006 0.122843 0.413180 Mo\n0.007689 0.720363 0.438119 O\n0.007689 0.779637 0.938118 O\n0.992311 0.220364 0.061881 O\n0.992313 0.279636 0.561882 O\n0.382068 0.501789 0.830635 O\n0.599903 0.508322 0.657061 O\n0.617932 0.001788 0.669365 O\n0.617932 0.498212 0.169365 O\n0.382068 -0.001789 0.330635 O\n0.607426 0.734273 0.331936 O\n0.392576 0.234273 0.168065 O\n0.392576 0.265726 0.668065 O\n0.607426 0.765726 0.831935 O\n0.206313 0.748708 0.719405 O\n0.793687 0.248709 0.780596 O\n0.793687 0.251291 0.280595 O\n0.206313 0.751292 0.219404 O\n0.599903 -0.008322 0.157062 O\n0.799980 0.746131 0.617936 O\n0.200022 0.253869 0.382065 O\n0.799979 0.753869 0.117935 O\n0.399818 0.751514 0.521319 O\n0.600183 0.251513 0.978682 O\n0.600183 0.248486 0.478681 O\n0.399818 0.748486 0.021319 O\n0.984953 0.499527 0.735180 O\n0.015049 -0.000473 0.764821 O\n0.015048 0.500472 0.264821 O\n0.984953 0.000473 0.235180 O\n0.400097 0.008323 0.842939 O\n0.200022 0.246132 0.882066 O\n0.400097 0.491678 0.342939 O\n",
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{
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