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{
"id": "jvasp-25550",
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"structure_string": "P4 H4 F16\n1.0\n0.000000 4.485581 0.000431\n7.886021 0.000000 0.000000\n0.000000 -4.404071 -8.279695\nP H F\n4 4 16\ndirect\n0.682113 0.285109 0.674880 P\n0.317886 0.785109 0.825119 P\n0.317887 0.714891 0.325119 P\n0.682113 0.214891 0.174880 P\n0.838503 0.390249 0.610704 H\n0.161496 0.890249 0.889296 H\n0.161497 0.609751 0.389296 H\n0.838503 0.109751 0.110704 H\n0.564720 0.859727 0.425350 F\n0.435279 0.359727 0.074650 F\n0.735012 0.300562 0.851862 F\n0.264987 0.800562 0.648137 F\n0.264987 0.699438 0.148138 F\n0.735013 0.199438 0.351862 F\n0.365099 0.419033 0.614039 F\n0.003166 0.154034 0.737469 F\n0.634901 0.580967 0.385961 F\n0.365099 0.080967 0.114039 F\n0.564720 0.640273 0.925349 F\n-0.003167 0.654034 0.762531 F\n-0.003166 0.845966 0.262531 F\n0.003166 0.345966 0.237469 F\n0.634901 0.919033 0.885960 F\n0.435279 0.140273 0.574650 F\n",
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{
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"structure_string": "K6 Be2 P2 C2 O14\n1.0\n0.000000 5.275826 0.021828\n8.063250 0.000000 0.000000\n0.000000 -0.665200 -8.970031\nK Be P C O\n6 2 2 2 14\ndirect\n0.203101 0.750000 0.079916 K\n0.737282 0.982398 0.296514 K\n0.737282 0.517602 0.296514 K\n0.262719 0.482398 0.703486 K\n0.262719 0.017602 0.703486 K\n0.796900 0.250000 0.920083 K\n0.211098 0.250000 0.372690 Be\n0.788903 0.750000 0.627310 Be\n0.736669 0.250000 0.561880 P\n0.263331 0.750000 0.438119 P\n0.341136 0.250000 0.101862 C\n0.658865 0.750000 0.898138 C\n0.428547 0.750000 0.844179 O\n0.758783 0.091311 0.655461 O\n0.758783 0.408689 0.655461 O\n0.471624 0.250000 0.468739 O\n0.046071 0.750000 0.548856 O\n0.953930 0.250000 0.451144 O\n0.718929 0.750000 0.040519 O\n0.241218 0.591311 0.344539 O\n0.241218 0.908689 0.344539 O\n0.571454 0.250000 0.155820 O\n0.156893 0.250000 0.195004 O\n0.843107 0.750000 0.804996 O\n0.528376 0.750000 0.531261 O\n0.281072 0.250000 0.959481 O\n",
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{
"id": "jvasp-27814",
"created_at": "2022-09-04T14:37:12.470039Z",
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"structure_string": "P4 H4 F16\n1.0\n0.000000 4.485608 0.000366\n7.886313 0.000000 0.000000\n0.000000 -4.403977 -8.278634\nP H F\n4 4 16\ndirect\n0.682109 0.285114 0.674875 P\n0.317889 0.785114 0.825124 P\n0.317890 0.714886 0.325124 P\n0.682110 0.214886 0.174875 P\n0.838491 0.390240 0.610682 H\n0.161507 0.890240 0.889317 H\n0.161508 0.609760 0.389317 H\n0.838492 0.109760 0.110682 H\n0.564744 0.859713 0.425363 F\n0.435255 0.359714 0.074636 F\n0.735006 0.300577 0.851875 F\n0.264993 0.800577 0.648124 F\n0.264993 0.699422 0.148124 F\n0.735006 0.199423 0.351875 F\n0.365106 0.419045 0.614007 F\n0.003141 0.154035 0.737476 F\n0.634893 0.580954 0.385992 F\n0.365107 0.080955 0.114008 F\n0.564744 0.640286 0.925363 F\n-0.003143 0.654034 0.762524 F\n-0.003143 0.845965 0.262524 F\n0.003142 0.345965 0.237476 F\n0.634892 0.919045 0.885991 F\n0.435255 0.140286 0.574635 F\n",
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{
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"structure_string": "Al4 Ni2 Cl16\n1.0\n6.804617 0.000270 3.007474\n3.070043 8.357851 2.257211\n-0.087937 -0.080987 9.400015\nAl Ni Cl\n4 2 16\ndirect\n0.340058 0.859688 0.964133 Al\n0.836571 0.359735 0.464086 Al\n0.163370 0.642779 0.534396 Al\n0.659831 0.142835 0.034341 Al\n0.994593 0.751317 0.249259 Ni\n0.005296 0.251239 0.749224 Ni\n0.296785 0.550071 0.305882 Cl\n0.344810 0.273644 0.054739 Cl\n0.841612 0.551498 0.276298 Cl\n0.158301 0.451025 0.722190 Cl\n0.655080 0.728886 0.943734 Cl\n0.165512 0.711396 0.976055 Cl\n0.703148 0.452452 0.692598 Cl\n0.847642 0.050073 0.805849 Cl\n0.834368 0.291129 0.022427 Cl\n0.672736 0.228991 0.443652 Cl\n0.147501 0.211351 0.476004 Cl\n0.152250 0.952455 0.192626 Cl\n0.668813 0.951136 0.222198 Cl\n0.327218 0.773512 0.554833 Cl\n0.852443 0.791181 0.522473 Cl\n0.331078 0.051385 0.776281 Cl\n",
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{
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"structure_string": "Sr1 Mg6 Ni1\n1.0\n7.399760 0.833776 0.000000\n-2.977808 5.157715 0.000000\n0.000000 0.000000 4.872238\nSr Mg Ni\n1 6 1\ndirect\n0.096553 0.798276 0.250000 Sr\n0.613777 0.302307 0.250000 Mg\n0.613777 0.811471 0.250000 Mg\n0.343060 0.184222 0.750000 Mg\n0.343060 0.658840 0.750000 Mg\n0.923775 0.211889 0.750000 Mg\n0.759437 0.629721 0.750000 Mg\n0.306562 0.403281 0.250000 Ni\n",
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{
"id": "jvasp-29794",
"created_at": "2022-09-04T14:37:14.196415Z",
"updated_at": "2022-09-04T14:37:14.196441Z",
"structure_string": "Al2 H6 O6\n1.0\n4.796775 0.076284 1.067026\n2.115550 4.349688 1.847419\n-0.376754 0.353489 5.139219\nAl H O\n2 6 6\ndirect\n0.671227 0.659884 0.000565 Al\n0.352032 0.301771 0.002513 Al\n0.624519 0.153022 0.577170 H\n0.390831 0.812554 0.414986 H\n-0.061062 0.292582 0.762473 H\n0.040558 0.522169 0.393557 H\n0.142812 0.859763 0.780881 H\n0.876820 0.079066 0.230366 H\n0.650524 0.069304 0.786135 O\n0.380086 0.896634 0.205619 O\n-0.011725 0.450836 0.772047 O\n0.032081 0.517322 0.206473 O\n0.360102 0.700669 0.776149 O\n0.665569 0.256908 0.217844 O\n",
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{
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"structure_string": "Mg2 Si2\n1.0\n3.947321 0.000000 -0.000000\n0.000000 4.241953 -0.000000\n0.000000 -0.000000 4.241953\nMg Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:36:05.363470Z",
"updated_at": "2022-09-04T14:36:05.363488Z",
"structure_string": "Li2 O4\n1.0\n0.241632 0.000000 -4.121026\n-2.302872 -2.931376 2.009962\n-2.302872 2.931376 2.009962\nLi O\n2 4\ndirect\n0.500001 0.749356 0.250643 Li\n0.500001 0.250643 0.749356 Li\n-0.000000 0.787256 0.212743 O\n-0.000000 0.212743 0.787256 O\n0.422748 0.213792 0.213792 O\n0.577253 0.786208 0.786208 O\n",
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{
"id": "jvasp-97372",
"created_at": "2022-09-04T14:36:01.706333Z",
"updated_at": "2022-09-04T14:36:01.706362Z",
"structure_string": "Na16 Be8 O16\n1.0\n5.300912 0.000000 0.000000\n0.000000 7.772911 -1.224938\n0.000000 0.059079 11.439631\nNa Be O\n16 8 16\ndirect\n0.443226 0.661159 0.485103 Na\n0.558596 0.838861 0.014877 Na\n0.058597 0.161139 0.985123 Na\n0.948624 0.697660 0.624443 Na\n0.448624 0.302340 0.375557 Na\n0.382257 0.497023 0.918164 Na\n0.882256 0.502977 0.081835 Na\n0.119605 0.996998 0.418196 Na\n0.619605 0.003002 0.581804 Na\n0.168291 0.070497 0.715463 Na\n0.668291 0.929503 0.284537 Na\n0.333573 0.570445 0.215457 Na\n0.833572 0.429555 0.784543 Na\n0.053273 0.802323 0.875528 Na\n0.553273 0.197678 0.124471 Na\n0.943225 0.338841 0.514897 Na\n0.618424 0.134574 0.872710 Be\n0.118424 0.865426 0.127289 Be\n0.883386 0.634499 0.372718 Be\n0.383386 0.365501 0.627282 Be\n0.543384 0.879339 0.788610 Be\n0.043385 0.120661 0.211390 Be\n0.458538 0.620738 0.711368 Be\n0.958538 0.379262 0.288632 Be\n0.193427 0.693470 0.055507 O\n0.227175 0.479576 0.728178 O\n0.727174 0.520424 0.271822 O\n0.693427 0.306530 0.944493 O\n0.274650 0.979464 0.228198 O\n0.884873 0.981444 0.108583 O\n0.384873 0.018556 0.891416 O\n0.616978 0.481490 0.608575 O\n0.635337 0.696051 0.826898 O\n0.135337 0.303949 0.173101 O\n0.366565 0.804021 0.673075 O\n0.866565 0.195979 0.326925 O\n0.116978 0.518510 0.391425 O\n0.308414 0.193525 0.555520 O\n0.774650 0.020536 0.771801 O\n0.808414 0.806475 0.444480 O\n",
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"created_at": "2022-09-04T14:38:04.622082Z",
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"structure_string": "Al2 H6 O6\n1.0\n4.861035 0.012693 -0.722809\n-2.599921 4.219902 -1.221560\n0.010306 -0.048003 5.163577\nAl H O\n2 6 6\ndirect\n0.848125 0.689211 0.001435 Al\n0.170846 0.331099 -0.000521 Al\n0.519317 0.888992 0.221095 H\n0.294437 0.182284 0.424838 H\n0.079787 0.551426 0.608314 H\n0.748382 0.321862 0.239604 H\n0.473226 0.108488 0.771663 H\n0.720492 0.841959 0.587026 H\n0.439721 0.286272 0.784117 O\n0.955942 0.480126 0.229972 O\n0.066655 0.546727 0.795530 O\n0.236657 0.098564 0.215842 O\n0.577578 0.729948 0.225877 O\n0.793932 0.926040 0.796409 O\n",
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{
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"created_at": "2022-09-04T14:38:20.126107Z",
"updated_at": "2022-09-04T14:38:20.126129Z",
"structure_string": "Li1 O8\n1.0\n4.250794 0.121262 2.553473\n1.047668 3.982537 2.724543\n0.588955 0.215087 5.902578\nLi O\n1 8\ndirect\n0.437255 0.708051 0.304197 Li\n0.784306 0.353624 0.825390 O\n0.102861 0.279900 0.706336 O\n0.110960 0.659975 0.230522 O\n0.787285 0.729959 0.369160 O\n0.785149 0.239264 0.342831 O\n0.103128 0.848526 0.692181 O\n0.108314 0.190431 0.206982 O\n0.780735 0.918847 0.810491 O\n",
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{
"id": "jvasp-12566",
"created_at": "2022-09-04T14:37:04.977102Z",
"updated_at": "2022-09-04T14:37:04.977123Z",
"structure_string": "Sn1 H8 N2 Cl6\n1.0\n6.116390 0.000000 3.531299\n2.038797 5.766587 3.531299\n0.000000 0.000000 7.062599\nSn H N Cl\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.309946 0.309946 0.309946 H\n0.690054 0.690055 0.929837 H\n0.929838 0.690055 0.690054 H\n0.690054 0.690055 0.690054 H\n0.070163 0.309946 0.309946 H\n0.309946 0.070163 0.309946 H\n0.309946 0.309946 0.070163 H\n0.690055 0.929838 0.690054 H\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.247234 0.752766 0.247234 Cl\n0.752766 0.247234 0.752766 Cl\n0.247234 0.752766 0.752766 Cl\n0.752766 0.247234 0.247234 Cl\n0.752766 0.752766 0.247234 Cl\n0.247234 0.247234 0.752766 Cl\n",
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}