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{
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"structure_string": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n5.448050 0.003106 -0.459791\n-0.095689 7.084608 -1.104709\n0.024422 0.025087 14.759913\nBa Na Ca Ti Si S O\n4 2 1 3 4 2 26\ndirect\n0.415060 0.167827 0.618901 Ba\n0.933045 0.704918 0.705194 Ba\n0.001518 0.996448 0.016279 Ba\n0.483234 0.458242 0.930332 Ba\n0.708850 0.577144 0.317726 Na\n0.207903 0.317827 0.318120 Na\n0.209770 0.856863 0.317493 Ca\n0.391019 0.643591 0.520381 Ti\n0.709211 0.093660 0.318054 Ti\n0.025519 0.520693 0.114877 Ti\n0.529373 0.241088 0.128412 Si\n0.885816 0.922871 0.508026 Si\n0.530708 0.804939 0.125376 Si\n0.887422 0.358462 0.509195 Si\n0.953091 0.283132 0.795009 S\n0.462878 0.880151 0.840528 S\n0.247871 0.785142 0.872329 O\n0.168290 0.377799 0.763172 O\n0.546625 0.838391 0.235861 O\n0.967334 0.051335 0.242995 O\n0.271880 0.696922 0.078779 O\n0.546153 0.273679 0.238897 O\n0.368960 0.611867 0.403810 O\n0.439578 0.850921 0.737388 O\n0.692385 0.785237 0.872113 O\n0.870843 0.889355 0.397665 O\n0.451174 0.096092 0.393233 O\n0.762292 0.323091 0.081790 O\n0.047602 0.562740 0.231423 O\n0.976187 0.312747 0.898191 O\n0.870492 0.324090 0.398571 O\n0.654220 0.841368 0.555408 O\n0.143267 0.841865 0.553749 O\n0.273073 0.322291 0.082551 O\n0.763649 0.695940 0.076947 O\n0.653147 0.467521 0.556715 O\n0.145114 0.466793 0.555805 O\n0.471634 0.081469 0.879648 O\n0.943911 0.081757 0.756123 O\n0.899998 0.153545 0.551020 O\n0.723819 0.378245 0.763298 O\n0.516876 0.010869 0.084514 O\n",
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{
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"structure_string": "Na6 Li6 S6 O24\n1.0\n7.596430 -0.000000 0.000000\n-3.798215 6.578701 -0.000000\n-0.000000 0.000000 9.884198\nNa Li S O\n6 6 6 24\ndirect\n0.543346 0.516898 0.489201 Na\n0.483102 0.026448 0.489201 Na\n0.973552 0.456655 0.489201 Na\n0.456655 0.973552 0.989201 Na\n0.026448 0.483102 0.989201 Na\n0.516899 0.543345 0.989201 Na\n0.037782 0.792457 0.761372 Li\n0.207543 0.245325 0.761372 Li\n0.754676 0.962218 0.761372 Li\n0.792457 0.037782 0.261372 Li\n0.245325 0.207543 0.261372 Li\n0.962219 0.754675 0.261372 Li\n0.000000 0.000000 0.501852 S\n0.666667 0.333333 0.195416 S\n0.333333 0.666667 0.695416 S\n0.000000 0.000000 0.001852 S\n0.333333 0.666667 0.263357 S\n0.666667 0.333333 0.763357 S\n0.787478 0.886699 0.952042 O\n0.473991 0.312856 0.814721 O\n0.687144 0.161135 0.814721 O\n0.838866 0.526009 0.814721 O\n0.312856 0.473991 0.314721 O\n0.161135 0.687144 0.314721 O\n0.526010 0.838865 0.314721 O\n0.000000 0.000000 0.155139 O\n0.000000 0.000000 0.655139 O\n0.666667 0.333333 0.344876 O\n0.333333 0.666667 0.844876 O\n0.229954 0.775519 0.643216 O\n0.224481 0.454434 0.643216 O\n0.545566 0.770046 0.643216 O\n0.775520 0.229954 0.143216 O\n0.454435 0.224481 0.143216 O\n0.770046 0.545565 0.143216 O\n0.212522 0.099221 0.452042 O\n0.900779 0.113301 0.452042 O\n0.886700 0.787478 0.452042 O\n0.333333 0.666667 0.113706 O\n0.113301 0.900778 0.952042 O\n0.666667 0.333333 0.613706 O\n0.099222 0.212522 0.952042 O\n",
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"formula_full": "Na6 Li6 S6 O24",
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{
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"created_at": "2022-09-04T14:35:44.677495Z",
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"structure_string": "Sr10 P6 Cl2 O24\n1.0\n4.961990 -8.594418 0.000000\n4.961990 8.594418 0.000000\n-0.000000 -0.000000 7.215029\nSr P Cl O\n10 6 2 24\ndirect\n0.990853 0.743252 0.750000 Sr\n0.333333 0.666667 0.498889 Sr\n0.333333 0.666667 0.001111 Sr\n0.256748 0.247599 0.750000 Sr\n0.247599 0.990853 0.250000 Sr\n0.752401 0.009147 0.750000 Sr\n0.743252 0.752401 0.250000 Sr\n0.666667 0.333333 0.998889 Sr\n0.666667 0.333333 0.501111 Sr\n0.009147 0.256748 0.250000 Sr\n0.372131 0.965593 0.750000 P\n0.965593 0.593461 0.250000 P\n0.406539 0.372131 0.250000 P\n0.593461 0.627869 0.750000 P\n0.627869 0.034407 0.250000 P\n0.034407 0.406539 0.750000 P\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.910436 0.644269 0.424100 O\n0.119715 0.587774 0.750000 O\n0.145112 0.664464 0.250000 O\n0.266167 0.910436 0.575900 O\n0.266167 0.910436 0.924100 O\n0.355731 0.266167 0.075900 O\n0.355731 0.266167 0.424100 O\n0.412226 0.531942 0.750000 O\n0.335537 0.480649 0.250000 O\n0.910436 0.644269 0.075900 O\n0.089564 0.355731 0.575900 O\n0.880285 0.412226 0.250000 O\n0.664464 0.519352 0.750000 O\n0.587774 0.468059 0.250000 O\n0.644269 0.733833 0.575900 O\n0.644269 0.733833 0.924100 O\n0.733833 0.089564 0.075900 O\n0.733833 0.089564 0.424100 O\n0.854888 0.335537 0.750000 O\n0.480649 0.145112 0.750000 O\n0.519352 0.854888 0.250000 O\n0.468059 0.880285 0.750000 O\n0.089564 0.355731 0.924100 O\n0.531942 0.119715 0.250000 O\n",
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{
"id": "jvasp-97955",
"created_at": "2022-09-04T14:35:44.630144Z",
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"structure_string": "H4 C4 S6 N4 O12 F12\n1.0\n4.477005 2.709392 -0.394925\n-4.477005 2.709392 0.394925\n-0.024986 0.000000 20.738601\nH C S N O F\n4 4 6 4 12 12\ndirect\n0.036781 0.405383 0.798658 H\n0.405383 0.036782 0.701342 H\n0.963218 0.594616 0.201342 H\n0.594616 0.963218 0.298658 H\n0.320600 0.226673 0.931679 C\n0.226673 0.320600 0.568321 C\n0.679399 0.773326 0.068321 C\n0.773326 0.679399 0.431679 C\n0.570251 0.570252 0.250000 S\n0.429747 0.429748 0.750000 S\n0.956605 0.902870 0.357986 S\n0.043393 0.097130 0.642014 S\n0.097129 0.043394 0.857986 S\n0.902869 0.956606 0.142014 S\n0.176085 0.316440 0.803936 N\n0.316439 0.176086 0.696064 N\n0.823914 0.683560 0.196064 N\n0.683559 0.823914 0.303936 N\n0.134256 0.786170 0.337988 O\n0.572633 0.318362 0.280447 O\n0.318361 0.572633 0.219553 O\n0.427366 0.681638 0.719553 O\n0.681637 0.427366 0.780447 O\n0.786170 0.134256 0.162012 O\n0.196879 0.059074 0.126838 O\n0.213829 0.865743 0.837988 O\n0.059073 0.196879 0.373162 O\n0.940925 0.803121 0.626838 O\n0.803120 0.940926 0.873162 O\n0.865743 0.213830 0.662012 O\n0.346020 0.603534 0.578746 F\n0.603534 0.346021 0.921254 F\n0.978169 0.744728 0.480012 F\n0.744728 0.978169 0.019988 F\n0.021830 0.255271 0.519988 F\n0.568614 0.747327 0.447839 F\n0.747326 0.568614 0.052161 F\n0.431385 0.252673 0.552161 F\n0.252672 0.431386 0.947839 F\n0.396465 0.653979 0.078746 F\n0.255271 0.021830 0.980012 F\n0.653979 0.396465 0.421254 F\n",
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{
"id": "jvasp-97601",
"created_at": "2022-09-04T14:35:41.735100Z",
"updated_at": "2022-09-04T14:35:41.735124Z",
"structure_string": "Th6 Fe24 P12\n1.0\n3.711848 0.000000 0.000000\n0.000000 10.707980 -0.000000\n0.000000 -0.000000 14.277972\nTh Fe P\n6 24 12\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.375956 0.225808 Th\n0.500000 0.624044 0.774192 Th\n0.500000 0.500000 0.500000 Th\n0.000000 0.124044 0.725808 Th\n0.000000 0.875957 0.274192 Th\n0.000000 0.432875 0.674982 Fe\n0.000000 0.567125 0.325018 Fe\n0.500000 0.932875 0.825018 Fe\n0.500000 0.067125 0.174982 Fe\n0.000000 0.822350 0.710192 Fe\n0.000000 0.177651 0.289808 Fe\n0.500000 0.322350 0.789808 Fe\n0.500000 0.240378 0.037384 Fe\n0.500000 0.766052 0.578139 Fe\n0.000000 0.733948 0.078139 Fe\n0.000000 0.266052 0.921861 Fe\n0.500000 0.908799 0.448411 Fe\n0.000000 0.922151 0.553531 Fe\n0.500000 0.677651 0.210192 Fe\n0.500000 0.233948 0.421861 Fe\n0.500000 0.759622 0.962616 Fe\n0.000000 0.259622 0.537384 Fe\n0.500000 0.422151 0.946469 Fe\n0.500000 0.091201 0.551589 Fe\n0.000000 0.408799 0.051589 Fe\n0.000000 0.591201 0.948411 Fe\n0.500000 0.577849 0.053531 Fe\n0.000000 0.077849 0.446469 Fe\n0.000000 0.740378 0.462616 Fe\n0.500000 0.149989 0.886312 P\n0.000000 0.350011 0.386312 P\n0.000000 0.649989 0.613688 P\n0.500000 0.701107 0.367120 P\n0.500000 0.298893 0.632880 P\n0.000000 0.429268 0.834015 P\n0.500000 0.929268 0.665985 P\n0.000000 0.570732 0.165985 P\n0.000000 0.201107 0.132880 P\n0.000000 0.798893 0.867120 P\n0.500000 0.070732 0.334015 P\n0.500000 0.850011 0.113688 P\n",
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{
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"created_at": "2022-09-04T14:35:42.244529Z",
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"structure_string": "Li12 W6 O24\n1.0\n8.478574 -0.002879 -2.720794\n-3.729773 7.614133 -2.720794\n-0.001796 -0.002879 8.904434\nLi W O\n12 6 24\ndirect\n0.066700 0.297407 0.894373 Li\n0.630411 0.224891 0.390723 Li\n0.390722 0.630410 0.224891 Li\n0.775108 0.609276 0.369590 Li\n0.609277 0.369589 0.775108 Li\n0.224891 0.390723 0.630411 Li\n0.369589 0.775108 0.609277 Li\n0.702592 0.105626 0.933298 Li\n0.933298 0.702593 0.105627 Li\n0.894373 0.066701 0.297406 Li\n0.297406 0.894373 0.066701 Li\n0.105626 0.933298 0.702594 Li\n0.730148 0.966176 0.555595 W\n0.269851 0.033823 0.444404 W\n0.555595 0.730149 0.966178 W\n0.966176 0.555594 0.730149 W\n0.033823 0.444405 0.269851 W\n0.444405 0.269851 0.033823 W\n0.218346 0.182067 0.878758 O\n0.576623 0.248487 0.918680 O\n0.918680 0.576624 0.248488 O\n0.248488 0.918680 0.576624 O\n0.423376 0.751512 0.081321 O\n0.781653 0.817932 0.121243 O\n0.751512 0.081319 0.423376 O\n0.457762 0.140160 0.153383 O\n0.153383 0.457763 0.140160 O\n0.140160 0.153382 0.457763 O\n0.542236 0.859839 0.846617 O\n0.503451 0.811952 0.470940 O\n0.811952 0.470940 0.503451 O\n0.470939 0.503450 0.811952 O\n0.496549 0.188047 0.529060 O\n0.188047 0.529059 0.496548 O\n0.529061 0.496549 0.188048 O\n0.817932 0.121242 0.781653 O\n0.121242 0.781653 0.817933 O\n0.846616 0.542236 0.859840 O\n0.081319 0.423376 0.751513 O\n0.878756 0.218346 0.182067 O\n0.859839 0.846617 0.542237 O\n0.182066 0.878758 0.218347 O\n",
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{
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