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{
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"structure_string": "Sb4 O4 F12\n1.0\n8.528462 0.000000 -0.000000\n-0.000000 8.528462 -0.000000\n0.000000 0.000000 3.761222\nSb O F\n4 4 12\ndirect\n0.642424 0.142424 0.749952 Sb\n0.142424 0.357576 0.250047 Sb\n0.857576 0.642424 0.250047 Sb\n0.357576 0.857576 0.749952 Sb\n0.618309 0.118309 0.249953 O\n0.118309 0.381691 0.750047 O\n0.881691 0.618309 0.750047 O\n0.381691 0.881691 0.249953 O\n0.876748 0.862800 0.250090 F\n0.376748 0.637200 0.749910 F\n0.637200 0.623252 0.250090 F\n0.102682 0.602682 0.250022 F\n0.897318 0.397318 0.250022 F\n0.862800 0.123252 0.749910 F\n0.623252 0.362800 0.749910 F\n0.123252 0.137200 0.250090 F\n0.137200 0.876748 0.749910 F\n0.397318 0.102682 0.749978 F\n0.362800 0.376748 0.250090 F\n0.602682 0.897318 0.749978 F\n",
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{
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"structure_string": "Mg2 Si4 Sn2 O12\n1.0\n5.348505 0.140080 1.253231\n1.467332 7.065121 0.703999\n0.118031 0.027594 7.249132\nMg Si Sn O\n2 4 2 12\ndirect\n0.750001 0.296252 0.703747 Mg\n0.250001 0.703748 0.296253 Mg\n0.217886 0.173398 0.364228 Si\n0.282113 0.635771 0.826601 Si\n0.717886 0.364228 0.173398 Si\n0.782115 0.826601 0.635771 Si\n0.249999 0.148891 0.851109 Sn\n0.749999 0.851110 0.148890 Sn\n0.672670 0.052085 0.669652 O\n0.827331 0.330346 0.947914 O\n0.619617 0.588083 0.227296 O\n0.880383 0.772705 0.411917 O\n0.380382 0.411915 0.772704 O\n0.048188 0.739931 0.717249 O\n0.951812 0.260068 0.282750 O\n0.548189 0.717249 0.739932 O\n0.327330 0.947914 0.330347 O\n0.451812 0.282752 0.260067 O\n0.119618 0.227294 0.588083 O\n0.172670 0.669654 0.052086 O\n",
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{
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"created_at": "2022-09-04T14:36:46.210657Z",
"updated_at": "2022-09-04T14:36:46.210684Z",
"structure_string": "Ta2 Zn4 Cu2 O12\n1.0\n0.000000 5.350169 -0.020047\n7.436307 0.000000 0.000000\n0.000000 -1.095572 -5.470612\nTa Zn Cu O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.961353 0.750000 0.950513 Zn\n0.486803 0.750000 0.439586 Zn\n0.513198 0.250000 0.560414 Zn\n0.038648 0.250000 0.049487 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.822541 0.940142 0.160106 O\n0.369462 0.750000 0.070917 O\n0.177459 0.059859 0.839895 O\n0.713264 0.924869 0.650089 O\n0.286736 0.424869 0.349911 O\n0.713264 0.575132 0.650089 O\n0.286736 0.075132 0.349911 O\n0.822541 0.559859 0.160106 O\n0.630539 0.250000 0.929083 O\n0.177459 0.440141 0.839895 O\n0.856164 0.250000 0.459865 O\n0.143837 0.750000 0.540135 O\n",
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{
"id": "jvasp-52381",
"created_at": "2022-09-04T14:36:46.811328Z",
"updated_at": "2022-09-04T14:36:46.811340Z",
"structure_string": "Sn8 O4 F8\n1.0\n7.931978 0.000000 0.000000\n0.000000 7.931978 -0.000000\n0.000000 0.000000 5.604333\nSn O F\n8 4 8\ndirect\n0.227802 0.500000 0.185874 Sn\n0.000000 0.727802 0.685874 Sn\n0.000000 0.272198 0.685874 Sn\n0.772199 0.500000 0.185874 Sn\n0.727802 0.000000 0.314125 Sn\n0.500000 0.227802 0.814125 Sn\n0.500000 0.772199 0.814125 Sn\n0.272198 0.000000 0.314125 Sn\n0.500000 0.000000 0.107321 O\n0.500000 0.000000 0.607320 O\n0.000000 0.500000 0.892679 O\n0.000000 0.500000 0.392679 O\n0.199953 0.199953 0.000000 F\n0.199953 0.800047 0.000000 F\n0.800047 0.199953 0.000000 F\n0.800047 0.800047 0.000000 F\n0.699953 0.699953 0.500000 F\n0.699953 0.300047 0.500000 F\n0.300047 0.699953 0.500000 F\n0.300047 0.300047 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:36:52.573202Z",
"updated_at": "2022-09-04T14:36:52.573223Z",
"structure_string": "Hg4 Se4 O12\n1.0\n6.083263 0.000000 0.000000\n0.000000 6.158976 0.000000\n0.000000 0.000000 8.322778\nHg Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.499844 0.943569 0.750000 Se\n-0.000156 0.556432 0.250000 Se\n0.000156 0.443569 0.750000 Se\n0.500156 0.056432 0.250000 Se\n0.738416 0.354954 0.750000 O\n0.238416 0.145046 0.250000 O\n0.620155 0.198874 0.086781 O\n0.120155 0.301126 0.913219 O\n0.879844 0.698875 0.413219 O\n0.120155 0.301126 0.586781 O\n0.379845 0.801126 0.913219 O\n0.879844 0.698875 0.086781 O\n0.261583 0.645047 0.250000 O\n0.620155 0.198874 0.413219 O\n0.379845 0.801126 0.586781 O\n0.761583 0.854954 0.750000 O\n",
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{
"id": "jvasp-50118",
"created_at": "2022-09-04T14:37:02.026205Z",
"updated_at": "2022-09-04T14:37:02.026225Z",
"structure_string": "Sm8 Se8 O4\n1.0\n0.000000 7.248014 0.021985\n7.224709 0.000000 0.000000\n0.000000 -1.534455 -8.596650\nSm Se O\n8 8 4\ndirect\n0.247733 0.448266 0.857176 Sm\n0.747733 0.051734 0.857176 Sm\n0.328828 0.849623 0.573142 Sm\n0.828828 0.650377 0.573142 Sm\n0.171171 0.349623 0.426858 Sm\n0.671171 0.150377 0.426859 Sm\n0.252266 0.948266 0.142825 Sm\n0.752266 0.551735 0.142825 Sm\n0.529754 0.220495 0.077260 Se\n0.029754 0.279505 0.077260 Se\n0.925151 0.875037 0.317369 Se\n0.425151 0.624963 0.317369 Se\n0.970245 0.720495 0.922741 Se\n0.074848 0.124963 0.682632 Se\n0.470245 0.779505 0.922740 Se\n0.574848 0.375037 0.682632 Se\n0.350003 0.085018 0.386383 O\n0.149996 0.585018 0.613617 O\n0.649995 0.914982 0.613617 O\n0.850003 0.414982 0.386384 O\n",
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{
"id": "jvasp-50073",
"created_at": "2022-09-04T14:37:02.011746Z",
"updated_at": "2022-09-04T14:37:02.011778Z",
"structure_string": "Li4 Te4 O12\n1.0\n5.108520 0.000000 0.000000\n0.000000 5.228869 0.000000\n0.000000 0.000000 9.224833\nLi Te O\n4 4 12\ndirect\n0.000000 0.000000 0.328203 Li\n0.500000 0.000000 0.150383 Li\n0.000000 0.500000 0.650383 Li\n0.500000 0.500000 0.828203 Li\n0.000000 0.000000 0.898028 Te\n0.500000 0.000000 0.591693 Te\n0.000000 0.500000 0.091693 Te\n0.500000 0.500000 0.398028 Te\n0.214663 0.185062 0.062204 O\n0.714663 0.314938 0.562204 O\n0.786444 0.341376 0.935471 O\n0.797482 0.315349 0.232901 O\n0.202518 0.684652 0.232901 O\n0.713556 0.841376 0.435471 O\n0.285337 0.685062 0.562204 O\n0.785337 0.814938 0.062204 O\n0.286444 0.158624 0.435471 O\n0.702518 0.815349 0.732900 O\n0.213556 0.658624 0.935471 O\n0.297482 0.184651 0.732900 O\n",
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{
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"created_at": "2022-09-04T14:36:53.978899Z",
"updated_at": "2022-09-04T14:36:53.978915Z",
"structure_string": "Tm8 S12\n1.0\n3.798141 -0.000000 0.000000\n-0.000000 10.358138 0.000000\n0.000000 0.000000 10.477675\nTm S\n8 12\ndirect\n0.250000 0.996801 0.807627 Tm\n0.750000 0.687068 0.011200 Tm\n0.250000 0.312932 0.988800 Tm\n0.750000 0.812932 0.511200 Tm\n0.750000 0.496800 0.692373 Tm\n0.750000 0.003200 0.192373 Tm\n0.250000 0.187068 0.488800 Tm\n0.250000 0.503200 0.307627 Tm\n0.250000 0.873414 0.045927 S\n0.250000 0.304952 0.726720 S\n0.250000 0.195048 0.226720 S\n0.250000 0.626586 0.545927 S\n0.750000 0.373414 0.454072 S\n0.250000 0.944190 0.381277 S\n0.250000 0.555811 0.881277 S\n0.750000 0.055810 0.618722 S\n0.750000 0.695048 0.273279 S\n0.750000 0.444190 0.118723 S\n0.750000 0.804952 0.773279 S\n0.750000 0.126586 0.954072 S\n",
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{
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"created_at": "2022-09-04T14:36:54.896452Z",
"updated_at": "2022-09-04T14:36:54.896476Z",
"structure_string": "Zn4 H8 O8\n1.0\n4.897610 0.000000 0.000000\n0.000000 5.243935 0.000000\n0.000000 0.000000 8.165770\nZn H O\n4 8 8\ndirect\n0.936268 0.152507 0.873135 Zn\n0.563732 0.847493 0.373135 Zn\n0.436268 0.347493 0.126865 Zn\n0.063732 0.652508 0.626865 Zn\n0.195114 0.929796 0.111476 H\n0.304886 0.070205 0.611476 H\n0.804886 0.429796 0.388524 H\n0.695114 0.570205 0.888524 H\n0.134458 0.639382 0.286031 H\n0.865542 0.139381 0.213969 H\n0.634458 0.860620 0.713969 H\n0.365542 0.360619 0.786031 H\n0.305829 0.668772 0.220594 O\n0.867541 0.606293 0.417262 O\n0.632459 0.393708 0.917262 O\n0.367541 0.893709 0.582738 O\n0.132459 0.106292 0.082738 O\n0.805829 0.831229 0.779406 O\n0.694171 0.168772 0.279406 O\n0.194171 0.331228 0.720594 O\n",
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{
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"created_at": "2022-09-04T14:37:00.967049Z",
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.604879 0.024797 1.885982\n2.664707 6.368579 -0.134467\n-0.195111 -0.162247 6.041826\nMg H C O\n2 4 6 8\ndirect\n0.523892 0.191799 0.526973 Mg\n0.900513 0.103082 0.967648 Mg\n0.307871 0.929708 0.339596 H\n0.064651 0.644893 0.684660 H\n0.469644 0.638365 0.327636 H\n0.805565 0.658849 -0.028353 H\n0.827625 0.651973 0.782604 C\n0.294337 0.777393 0.311748 C\n0.588170 0.857077 0.779716 C\n0.809784 0.447043 0.709269 C\n0.185043 0.380557 0.197800 C\n0.056235 0.774628 0.260828 C\n0.445844 0.328681 0.223986 O\n0.002026 0.588306 0.221888 O\n0.583282 0.435369 0.671259 O\n0.070415 0.254793 0.158707 O\n0.328924 0.872056 0.783040 O\n0.825596 0.940631 0.248105 O\n0.665686 0.018818 0.773359 O\n0.046035 0.277791 0.695817 O\n",
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"spacegroup": 1
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{
"id": "jvasp-52229",
"created_at": "2022-09-04T14:37:00.953980Z",
"updated_at": "2022-09-04T14:37:00.953991Z",
"structure_string": "Li6 Cu2 F12\n1.0\n5.893511 0.002436 0.002494\n-0.129821 5.892082 0.002494\n-0.129821 -0.132767 5.890587\nLi Cu F\n6 2 12\ndirect\n0.066756 0.249200 0.556501 Li\n0.249200 0.556501 0.066755 Li\n0.443499 0.933244 0.750799 Li\n0.556501 0.066756 0.249200 Li\n0.750800 0.443499 0.933244 Li\n0.933245 0.750800 0.443498 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.806630 0.452669 0.599448 F\n0.694843 0.076607 0.917740 F\n0.599448 0.806629 0.452668 F\n0.547331 0.400552 0.193370 F\n0.452669 0.599448 0.806629 F\n0.082261 0.305157 0.923393 F\n0.305158 0.923393 0.082260 F\n0.193371 0.547331 0.400552 F\n0.917740 0.694843 0.076606 F\n0.076608 0.917739 0.694842 F\n0.400552 0.193370 0.547331 F\n0.923393 0.082261 0.305157 F\n",
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{
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"created_at": "2022-09-04T14:36:42.188861Z",
"updated_at": "2022-09-04T14:36:42.188872Z",
"structure_string": "Li2 Bi6 O12\n1.0\n6.712723 -0.126934 -0.129915\n-0.279310 6.708109 -0.129918\n-0.279313 -0.285726 6.703280\nLi Bi O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.085728 0.567234 0.258954 Bi\n0.258954 0.085728 0.567234 Bi\n0.432766 0.741046 0.914271 Bi\n0.567234 0.258954 0.085728 Bi\n0.741046 0.914272 0.432765 Bi\n0.914272 0.432766 0.741045 Bi\n0.808930 0.590654 0.466145 O\n0.683755 0.920627 0.087115 O\n0.590654 0.466145 0.808930 O\n0.533854 0.191070 0.409346 O\n0.466146 0.808930 0.590653 O\n0.079374 0.912885 0.316244 O\n0.316245 0.079373 0.912884 O\n0.191070 0.409346 0.533854 O\n0.920627 0.087115 0.683755 O\n0.087116 0.683755 0.920626 O\n0.409347 0.533855 0.191069 O\n0.912884 0.316245 0.079373 O\n",
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]
}