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{
"id": "jvasp-87985",
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"structure_string": "Li21 Ta3 O18\n1.0\n5.529877 0.000000 -0.000000\n-2.764939 4.789014 0.000000\n-0.000000 0.000000 14.668236\nLi Ta O\n21 3 18\ndirect\n0.382578 0.388988 0.115966 Li\n0.666667 0.333333 0.987344 Li\n0.000000 0.000000 0.654004 Li\n0.712527 0.728697 0.217840 Li\n0.016170 0.287473 0.217840 Li\n0.271302 0.983829 0.217840 Li\n0.339741 0.284087 0.782631 Li\n0.944345 0.660258 0.782631 Li\n0.715913 0.055655 0.782631 Li\n0.379194 0.062030 0.551172 Li\n0.333333 0.666666 0.320678 Li\n0.937970 0.317163 0.551172 Li\n0.673076 0.950753 0.449300 Li\n0.277678 0.326924 0.449300 Li\n0.049246 0.722322 0.449300 Li\n0.045857 0.395361 0.884505 Li\n0.349504 0.954142 0.884505 Li\n0.604639 0.650496 0.884505 Li\n0.006410 0.617421 0.115966 Li\n0.611011 0.993589 0.115966 Li\n0.682837 0.620806 0.551172 Li\n0.333333 0.666666 0.668056 Ta\n0.000000 0.000000 0.001392 Ta\n0.666667 0.333333 0.334725 Ta\n0.980702 0.613170 0.252448 O\n0.323260 0.952710 0.749113 O\n0.629449 0.676739 0.749113 O\n0.047289 0.370550 0.749113 O\n0.299132 0.352629 0.585780 O\n0.053498 0.700867 0.585780 O\n0.647370 0.946501 0.585780 O\n0.386829 0.367531 0.252448 O\n0.656593 0.619374 0.415782 O\n0.380625 0.037219 0.415782 O\n0.965804 0.685965 0.919115 O\n0.720162 0.034196 0.919115 O\n0.314034 0.279838 0.919115 O\n0.632469 0.019298 0.252448 O\n0.296115 0.010072 0.082449 O\n0.713957 0.703885 0.082449 O\n0.962781 0.343406 0.415782 O\n0.989928 0.286043 0.082449 O\n",
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{
"id": "jvasp-97508",
"created_at": "2022-09-04T14:36:04.098070Z",
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"structure_string": "V6 Pb10 Cl2 O24\n1.0\n10.443239 0.000001 -0.000000\n-5.221620 9.044110 -0.000000\n0.000000 -0.000000 7.307624\nV Pb Cl O\n6 10 2 24\ndirect\n0.972165 0.589296 0.250000 V\n0.589296 0.617130 0.750000 V\n0.410704 0.382870 0.250000 V\n0.617130 0.027835 0.250000 V\n0.382870 0.972165 0.750000 V\n0.027835 0.410704 0.750000 V\n0.256797 0.018165 0.250000 Pb\n0.333333 0.666667 0.006903 Pb\n0.761368 0.743203 0.250000 Pb\n0.333333 0.666667 0.493097 Pb\n0.018165 0.761368 0.750000 Pb\n0.981835 0.238632 0.250000 Pb\n0.743203 0.981835 0.750000 Pb\n0.666667 0.333333 0.506903 Pb\n0.666667 0.333333 0.993096 Pb\n0.238632 0.256797 0.750000 Pb\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.395471 0.517377 0.750000 O\n0.732406 0.090363 0.061644 O\n0.517377 0.121906 0.250000 O\n0.909637 0.642043 0.061644 O\n0.878094 0.395471 0.250000 O\n0.267594 0.909637 0.938355 O\n0.732406 0.090363 0.438356 O\n0.090363 0.357957 0.938355 O\n0.498995 0.162319 0.750000 O\n0.837681 0.336676 0.750000 O\n0.501005 0.837681 0.250000 O\n0.090363 0.357957 0.561644 O\n0.482623 0.878094 0.750000 O\n0.357957 0.267594 0.061644 O\n0.663324 0.501005 0.750000 O\n0.604529 0.482623 0.250000 O\n0.162319 0.663324 0.250000 O\n0.336676 0.498995 0.250000 O\n0.267594 0.909637 0.561644 O\n0.642043 0.732406 0.938355 O\n0.121906 0.604529 0.750000 O\n0.642043 0.732406 0.561644 O\n0.909637 0.642043 0.438356 O\n0.357957 0.267594 0.438356 O\n",
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{
"id": "jvasp-98086",
"created_at": "2022-09-04T14:35:45.052269Z",
"updated_at": "2022-09-04T14:35:45.052297Z",
"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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"formula_full": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26",
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{
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"created_at": "2022-09-04T14:35:47.079599Z",
"updated_at": "2022-09-04T14:35:47.079630Z",
"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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{
"id": "jvasp-13907",
"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",
"updated_at": "2022-09-04T14:35:44.630176Z",
"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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{
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"created_at": "2022-09-04T14:35:41.735100Z",
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"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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