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{
"id": "jvasp-87978",
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"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
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{
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{
"id": "jvasp-87962",
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"updated_at": "2022-09-04T14:36:08.740394Z",
"structure_string": "Na2 Sb6 F20\n1.0\n8.246626 0.000000 -0.000000\n-4.123313 7.141788 -0.000000\n0.000000 0.000000 7.377500\nNa Sb F\n2 6 20\ndirect\n0.333334 0.666667 0.178266 Na\n0.666668 0.333333 0.678266 Na\n0.879881 0.219394 0.242643 Sb\n0.219395 0.339513 0.742643 Sb\n0.780607 0.660487 0.242643 Sb\n0.339514 0.120119 0.242643 Sb\n0.120120 0.780606 0.742643 Sb\n0.660487 0.879881 0.742643 Sb\n0.886640 0.775294 0.842727 F\n0.111346 0.886640 0.342727 F\n0.775294 0.888654 0.342727 F\n0.224707 0.111346 0.842727 F\n0.888655 0.113361 0.842727 F\n0.113361 0.224707 0.342727 F\n0.333334 0.666667 0.709865 F\n0.601118 0.801772 -0.000644 F\n0.398883 0.198228 0.499356 F\n0.801772 0.200655 0.499356 F\n0.200655 0.398883 -0.000644 F\n0.033317 0.495849 0.288230 F\n0.537468 0.033316 0.788230 F\n0.495849 0.462533 0.788230 F\n0.504152 0.537468 0.288230 F\n0.462533 0.966684 0.288230 F\n0.966684 0.504151 0.788230 F\n0.666668 0.333333 0.209865 F\n0.198229 0.799345 -0.000644 F\n0.799346 0.601117 0.499356 F\n",
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{
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"structure_string": "K2 Er6 F20\n1.0\n7.020386 -0.000000 4.053222\n2.340129 6.618884 4.053222\n0.000000 0.000000 8.106444\nK Er F\n2 6 20\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.239990 0.760010 0.760010 Er\n0.760011 0.239989 0.239989 Er\n0.760011 0.760010 0.239989 Er\n0.239990 0.239989 0.760010 Er\n0.760011 0.239989 0.760010 Er\n0.239990 0.760010 0.239989 Er\n0.500001 0.831942 0.168057 F\n0.831943 0.168057 0.499999 F\n0.500000 0.500000 0.831942 F\n0.831943 0.500000 0.499999 F\n0.887970 0.887969 0.887968 F\n0.112031 0.112031 0.663909 F\n0.168058 0.500000 0.500000 F\n0.887970 0.336091 0.887968 F\n0.336091 0.887969 0.887969 F\n0.887970 0.887969 0.336090 F\n0.112031 0.112031 0.112031 F\n0.500000 0.168057 0.831942 F\n0.500001 0.831942 0.499999 F\n0.831943 0.500000 0.168057 F\n0.168058 0.831942 0.500000 F\n0.500000 0.168057 0.500000 F\n0.168058 0.500000 0.831942 F\n0.500000 0.500000 0.168057 F\n0.663909 0.112031 0.112030 F\n0.112031 0.663909 0.112030 F\n",
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{
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"created_at": "2022-09-04T14:38:18.547587Z",
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"structure_string": "Sr12 Cu6 N10\n1.0\n8.663077 0.000000 0.000000\n0.000000 8.663077 0.000000\n0.000000 0.000000 7.326181\nSr Cu N\n12 6 10\ndirect\n0.000000 0.000000 0.499938 Sr\n0.000000 0.000000 -0.000062 Sr\n0.000000 0.500000 0.024009 Sr\n0.500000 0.000000 0.524009 Sr\n0.265509 0.303407 0.711603 Sr\n0.734492 0.696593 0.711603 Sr\n0.696593 0.265509 0.211603 Sr\n0.303407 0.734492 0.211603 Sr\n0.696593 0.734492 0.211603 Sr\n0.734492 0.303407 0.711603 Sr\n0.265509 0.696593 0.711603 Sr\n0.303407 0.265509 0.211603 Sr\n0.000000 0.641171 0.433374 Cu\n0.641171 0.000000 0.933374 Cu\n0.358829 0.000000 0.933374 Cu\n0.500000 0.500000 0.472936 Cu\n0.500000 0.500000 0.972936 Cu\n0.000000 0.358829 0.433374 Cu\n0.286487 0.500000 0.985682 N\n0.000000 0.500000 0.633674 N\n0.500000 0.000000 0.133674 N\n0.000000 0.780636 0.237608 N\n0.780636 0.000000 0.737608 N\n0.219364 0.000000 0.737608 N\n0.000000 0.219364 0.237608 N\n0.500000 0.713514 0.485682 N\n0.713514 0.500000 0.985682 N\n0.500000 0.286487 0.485682 N\n",
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{
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"created_at": "2022-09-04T14:38:42.918034Z",
"updated_at": "2022-09-04T14:38:42.918072Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.125313 0.042299 0.260719\n1.888657 4.067729 0.195091\n0.284870 -0.314721 13.852208\nZn H C O\n1 14 9 4\ndirect\n0.030176 0.025371 0.173616 Zn\n0.717681 0.302740 0.580969 H\n0.212070 0.769776 0.860718 H\n0.904942 0.594265 0.861954 H\n0.233572 0.791455 0.672870 H\n0.937080 0.604934 0.671216 H\n0.414866 0.125134 0.576196 H\n0.310469 0.794947 0.488061 H\n0.660237 0.245087 0.937841 H\n0.343152 0.084023 0.944351 H\n0.668503 0.294407 0.760062 H\n0.365649 0.114922 0.760805 H\n0.810146 0.268792 0.405002 H\n0.478849 0.140013 0.385098 H\n0.010106 0.616287 0.480197 H\n0.238546 0.465824 0.044563 C\n0.367541 0.318301 0.943898 C\n0.194513 0.532573 0.857888 C\n0.379017 0.355057 0.762268 C\n0.296075 0.555934 0.485361 C\n0.429347 0.364620 0.578398 C\n0.521794 0.362553 0.395770 C\n0.447870 0.552810 0.301836 C\n0.224422 0.549597 0.671332 C\n0.082303 0.780964 0.053138 O\n0.673076 0.465214 0.228398 O\n0.148695 0.811729 0.300024 O\n0.310685 0.267222 0.115604 O\n",
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"structure_string": "K12 Na6 Al2 Sb8\n1.0\n5.081556 -8.801513 -0.000000\n5.081556 8.801513 -0.000000\n-0.000000 -0.000000 10.483870\nK Na Al Sb\n12 6 2 8\ndirect\n0.415021 0.207511 0.541078 K\n0.792490 0.207511 0.541078 K\n0.792490 0.584980 0.541078 K\n0.584980 0.792490 0.041078 K\n0.207511 0.792490 0.041078 K\n0.207511 0.415021 0.041078 K\n0.207511 0.792490 0.458922 K\n0.584980 0.792490 0.458922 K\n0.207511 0.415021 0.458922 K\n0.792490 0.207511 0.958922 K\n0.415021 0.207511 0.958922 K\n0.792490 0.584980 0.958922 K\n0.115666 0.231332 0.750000 Na\n0.115667 0.884334 0.750000 Na\n0.768668 0.884335 0.750000 Na\n0.884334 0.115667 0.250000 Na\n0.231332 0.115666 0.250000 Na\n0.884335 0.768668 0.250000 Na\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 Sb\n0.516995 0.033990 0.250000 Sb\n0.966010 0.483006 0.250000 Sb\n0.516995 0.483005 0.250000 Sb\n0.483006 0.966010 0.750000 Sb\n0.033990 0.516995 0.750000 Sb\n0.483005 0.516995 0.750000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"structure_string": "K4 Te4 F20\n1.0\n4.665242 -0.000000 0.000000\n0.000000 9.009526 0.000000\n0.000000 0.000000 11.413410\nK Te F\n4 4 20\ndirect\n0.465025 0.250000 0.000000 K\n0.534975 0.750000 0.500000 K\n0.534975 0.750000 0.000000 K\n0.465025 0.250000 0.500000 K\n0.104921 0.052514 0.250000 Te\n0.104921 0.447486 0.750000 Te\n0.895078 0.552514 0.250000 Te\n0.895078 0.947486 0.750000 Te\n0.616214 0.015193 0.627235 F\n0.616214 0.015193 0.872765 F\n0.616214 0.484808 0.127235 F\n0.941513 0.317343 0.876441 F\n0.383785 0.984808 0.372765 F\n0.941513 0.182657 0.123559 F\n0.616214 0.484808 0.372765 F\n0.383785 0.515193 0.627235 F\n0.383785 0.515193 0.872765 F\n0.941513 0.317343 0.623559 F\n0.058487 0.817343 0.876441 F\n0.058487 0.682657 0.123559 F\n0.058487 0.682657 0.376441 F\n0.941513 0.182657 0.376441 F\n0.371372 0.216012 0.250000 F\n0.371372 0.283988 0.750000 F\n0.628628 0.716012 0.250000 F\n0.628628 0.783988 0.750000 F\n0.383785 0.984808 0.127235 F\n0.058487 0.817343 0.623559 F\n",
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{
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"structure_string": "Li4 Si4 Bi4 O16\n1.0\n0.000000 5.719488 0.113397\n6.500173 0.000000 0.000000\n0.000000 -5.019710 -10.172592\nLi Si Bi O\n4 4 4 16\ndirect\n0.408363 0.363443 0.548616 Li\n0.591637 0.863442 0.951383 Li\n0.408363 0.136557 0.048616 Li\n0.591637 0.636557 0.451383 Li\n0.202230 0.694764 0.638930 Si\n0.202230 0.805235 0.138930 Si\n0.797770 0.194764 0.861069 Si\n0.797770 0.305235 0.361069 Si\n0.968839 0.335783 0.141046 Bi\n0.968839 0.164216 0.641046 Bi\n0.031161 0.835783 0.358954 Bi\n0.031161 0.664216 0.858954 Bi\n0.690383 0.163754 0.226248 O\n0.837897 0.531421 0.309461 O\n0.640219 0.315448 0.453044 O\n0.690382 0.336246 0.726248 O\n0.837897 0.968578 0.809461 O\n0.359781 0.815447 0.046956 O\n0.640219 0.184552 0.953044 O\n0.087971 0.199547 0.467259 O\n0.309617 0.663754 0.273752 O\n0.359781 0.684552 0.546956 O\n0.162103 0.468578 0.690538 O\n0.309617 0.836246 0.773752 O\n0.912029 0.800452 0.532741 O\n0.087971 0.300453 0.967259 O\n0.162103 0.031421 0.190538 O\n0.912029 0.699547 0.032741 O\n",
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}