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{
"id": "jvasp-52495",
"created_at": "2022-09-04T14:37:45.436049Z",
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"structure_string": "K3 Na1 Fe1 Cl6\n1.0\n3.778288 3.895488 4.020192\n-0.497297 8.539965 -0.243831\n-0.497297 -0.512722 8.528046\nK Na Fe Cl\n3 1 1 6\ndirect\n-0.000001 0.500000 0.500001 K\n-0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 -0.000000 Fe\n0.090664 0.721669 0.721669 Cl\n0.465998 0.000000 0.721669 Cl\n0.465998 0.721668 0.000000 Cl\n0.534002 0.000000 0.278331 Cl\n0.534002 0.278331 -0.000000 Cl\n0.909335 0.278332 0.278331 Cl\n",
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"structure_string": "Mo2 H4 Cl4 O6\n1.0\n9.110781 0.000000 0.000000\n0.000000 3.884234 0.000000\n0.000000 0.000000 6.915652\nMo H Cl O\n2 4 4 6\ndirect\n0.500000 0.697080 0.810383 Mo\n0.000000 0.302919 0.310383 Mo\n0.587128 0.834384 0.409546 H\n0.412872 0.834384 0.409546 H\n0.912872 0.165615 0.909546 H\n0.087128 0.165615 0.909546 H\n0.751374 0.771614 0.749959 Cl\n0.248626 0.771614 0.749959 Cl\n0.748626 0.228385 0.249959 Cl\n0.251374 0.228385 0.249959 Cl\n0.500000 0.753649 0.480108 O\n0.000000 0.246350 0.980107 O\n0.500000 0.742368 0.052691 O\n0.000000 0.257631 0.552691 O\n0.500000 0.248815 0.780607 O\n0.000000 0.751184 0.280607 O\n",
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{
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"updated_at": "2022-09-04T14:37:45.356949Z",
"structure_string": "Te6 Mo1 W3 Se2\n1.0\n3.504845 -0.000009 0.000030\n-1.752431 3.035300 0.000002\n0.000320 0.000202 37.698000\nTe Mo W Se\n6 1 3 2\ndirect\n0.333312 0.666638 0.326239 Te\n0.333313 0.666655 0.708835 Te\n0.666675 0.333328 0.419735 Te\n0.666675 0.333364 0.517549 Te\n0.333331 0.666642 0.228874 Te\n0.333374 0.666734 0.611091 Te\n0.666663 0.333323 0.277553 Mo\n0.333324 0.666657 0.096715 W\n0.333336 0.666666 0.468649 W\n0.666675 0.333355 0.660009 W\n0.666664 0.333317 0.053729 Se\n0.666646 0.333314 0.139770 Se\n",
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{
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"updated_at": "2022-09-04T14:37:55.924776Z",
"structure_string": "Mn2 Fe1 C6 N6\n1.0\n2.981527 -5.164157 0.000000\n2.981527 5.164157 0.000000\n0.000000 0.000000 6.475485\nMn Fe C N\n2 1 6 6\ndirect\n0.666668 0.333333 0.500004 Mn\n0.333333 0.666668 0.499995 Mn\n0.000000 0.000000 0.000000 Fe\n0.245979 -0.000004 0.821892 C\n0.245983 0.245979 0.178107 C\n0.754022 1.000005 0.178107 C\n1.000004 0.245983 0.821892 C\n-0.000003 0.754018 0.178107 C\n0.754018 0.754022 0.821892 C\n0.615612 0.615615 0.690748 N\n0.615615 0.000003 0.309251 N\n0.999998 0.615612 0.309251 N\n0.384386 0.999998 0.690748 N\n0.384389 0.384386 0.309251 N\n0.000003 0.384389 0.690748 N\n",
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{
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"created_at": "2022-09-04T14:37:55.866269Z",
"updated_at": "2022-09-04T14:37:55.866292Z",
"structure_string": "Cd2 Hg4 Se2 O12\n1.0\n6.994555 0.010564 0.054941\n3.187031 6.551788 -0.019383\n2.858649 0.883143 6.969537\nCd Hg Se O\n2 4 2 12\ndirect\n0.332567 0.135549 0.212915 Cd\n0.667434 0.864450 0.787086 Cd\n0.841591 0.642138 0.209869 Hg\n0.158410 0.357861 0.790132 Hg\n0.660938 0.360623 0.791027 Hg\n0.339063 0.639376 0.208973 Hg\n0.796835 0.132142 0.311243 Se\n0.203165 0.867857 0.688757 Se\n0.853573 0.524668 0.748835 O\n0.365091 0.791619 0.831119 O\n0.549342 0.800618 0.136938 O\n0.223634 0.083650 0.546666 O\n0.146428 0.475332 0.251166 O\n0.450658 0.199381 0.863062 O\n0.776367 0.916349 0.453334 O\n0.938379 0.924024 0.836353 O\n0.720208 0.323251 0.434520 O\n0.634910 0.208380 0.168882 O\n0.279793 0.676748 0.565480 O\n0.061621 0.075975 0.163647 O\n",
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{
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"created_at": "2022-09-04T14:37:38.532462Z",
"updated_at": "2022-09-04T14:37:38.532472Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n0.000000 5.398395 -0.002625\n5.022557 0.000000 0.000000\n0.000000 -2.443965 -4.827215\nSi Ge N O\n2 2 4 2\ndirect\n0.165866 0.314915 0.519812 Si\n0.834136 0.814916 0.480188 Si\n0.522047 0.316445 0.176114 Ge\n0.477955 0.816445 0.823886 Ge\n0.589736 0.674667 0.172460 N\n0.151212 0.653861 0.576277 N\n0.848790 0.153861 0.423723 N\n0.410266 0.174667 0.827540 N\n0.255340 0.244111 0.274354 O\n0.744662 0.744111 0.725646 O\n",
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{
"id": "jvasp-41445",
"created_at": "2022-09-04T14:37:39.177766Z",
"updated_at": "2022-09-04T14:37:39.177799Z",
"structure_string": "Tm2 Cu2 Pb2 Se6\n1.0\n-4.034908 -0.000439 0.000063\n2.018023 6.779784 0.041854\n-0.000154 -0.153614 -10.453073\nTm Cu Pb Se\n2 2 2 6\ndirect\n0.500691 0.501527 0.497257 Tm\n0.500675 0.501499 0.997259 Tm\n0.968197 0.437887 0.247664 Cu\n0.033571 0.565016 0.746987 Cu\n0.744945 0.987775 0.754079 Pb\n0.256654 0.015313 0.240489 Pb\n0.860660 0.221683 0.432870 Se\n0.861172 0.222682 0.054110 Se\n0.140180 0.780326 0.940432 Se\n0.140662 0.781259 0.561719 Se\n0.579671 0.660165 0.249215 Se\n0.421873 0.342809 0.745285 Se\n",
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{
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"updated_at": "2022-09-04T14:37:38.597817Z",
"structure_string": "Nd2 Ti2 S2 O5\n1.0\n3.812820 0.000000 -0.627617\n-0.103311 3.811434 -0.627619\n0.015532 0.015952 11.989751\nNd Ti S O\n2 2 2 5\ndirect\n0.334044 0.334043 0.668089 Nd\n0.665956 0.665955 0.331911 Nd\n0.077537 0.077537 0.155075 Ti\n0.922462 0.922461 0.844925 Ti\n0.203949 0.203949 0.407897 S\n0.796051 0.796050 0.592102 S\n0.903267 0.403267 0.806535 O\n0.096732 0.596731 0.193465 O\n0.403268 0.903267 0.806535 O\n0.596732 0.096732 0.193465 O\n0.000000 0.000000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:38.606145Z",
"structure_string": "Li5 P1 S4 Cl2\n1.0\n0.000000 0.000000 -5.927445\n0.000000 -5.192633 2.963723\n-7.151625 0.000000 0.000000\nLi P S Cl\n5 1 4 2\ndirect\n0.300201 0.383445 0.754393 Li\n0.916756 0.616554 0.245607 Li\n0.300201 0.383445 0.245607 Li\n0.916756 0.616554 0.754393 Li\n0.620635 0.000000 0.500000 Li\n0.564395 0.000000 0.000000 P\n0.931076 0.322686 0.000000 S\n0.608389 0.677313 0.000000 S\n0.361074 0.000000 0.764812 S\n0.361074 0.000000 0.235187 S\n0.680851 0.648439 0.500000 Cl\n0.032411 0.351560 0.500000 Cl\n",
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{
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"structure_string": "Ca4 Ag2 W2 O12\n1.0\n0.000000 5.587999 -0.030514\n5.966800 0.000000 0.000000\n0.000000 -5.474811 -7.621218\nCa Ag W O\n4 2 2 12\ndirect\n0.268522 0.068529 0.253043 Ca\n0.731478 0.568528 0.246957 Ca\n0.731478 0.931471 0.746957 Ca\n0.268522 0.431471 0.753043 Ca\n0.500000 0.000000 -0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.878961 0.946088 0.260234 O\n0.121039 0.446088 0.239765 O\n0.340056 0.337481 0.051277 O\n0.659943 0.837481 0.448722 O\n0.659944 0.662519 0.948722 O\n0.220601 0.776275 0.068431 O\n0.779399 0.223725 0.931569 O\n0.220601 0.723725 0.568431 O\n0.121039 0.053912 0.739766 O\n0.779399 0.276275 0.431568 O\n0.340057 0.162519 0.551277 O\n0.878961 0.553912 0.760234 O\n",
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{
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"created_at": "2022-09-04T14:37:35.668632Z",
"updated_at": "2022-09-04T14:37:35.668650Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.386506 -0.000001 0.000003\n-1.693253 2.932802 -0.000012\n0.000036 -0.000123 36.128433\nTe Mo W Se\n2 2 2 6\ndirect\n0.333326 0.666651 0.334992 Te\n0.333330 0.666656 0.230188 Te\n0.333332 0.666641 0.091134 Mo\n0.333340 0.666690 0.474080 Mo\n0.666662 0.333321 0.282589 W\n0.666671 0.333348 0.655111 W\n0.333339 0.666685 0.701047 Se\n0.666659 0.333292 0.045420 Se\n0.666677 0.333361 0.428282 Se\n0.666668 0.333316 0.136941 Se\n0.666679 0.333365 0.519844 Se\n0.333337 0.666676 0.609121 Se\n",
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{
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"updated_at": "2022-09-04T14:37:45.522988Z",
"structure_string": "K8 Ba2 Ge6 O18\n1.0\n7.514592 0.003284 -0.050505\n-2.794506 6.975660 -0.050505\n-0.008896 -0.013154 11.440485\nK Ba Ge O\n8 2 6 18\ndirect\n0.842277 0.706774 0.749035 K\n0.056490 0.943510 -0.000000 K\n0.293226 0.157722 0.250965 K\n0.565663 0.434336 -0.000000 K\n0.586282 0.413717 0.500000 K\n0.418280 0.686116 0.254840 K\n0.996396 0.003603 0.500000 K\n0.313883 0.581720 0.745159 K\n0.801247 0.183552 0.224699 Ba\n0.816446 0.198752 0.775300 Ba\n0.101337 0.505989 0.032356 Ge\n0.488143 0.911143 0.522401 Ge\n0.494010 0.898663 0.967644 Ge\n0.886845 0.666339 0.259219 Ge\n0.333660 0.113154 0.740780 Ge\n0.088857 0.511856 0.477598 Ge\n0.108988 0.287383 0.075213 O\n0.712616 0.891012 0.924786 O\n0.483745 0.055169 0.078617 O\n0.974374 0.459994 0.612829 O\n0.093042 0.328436 0.384377 O\n0.671563 0.906958 0.615622 O\n0.660093 0.480513 0.246145 O\n0.374120 0.935913 0.834441 O\n0.345384 0.654615 0.500000 O\n0.064087 0.625879 0.165559 O\n0.944830 0.516255 0.921383 O\n0.350805 0.649194 -0.000000 O\n0.335694 0.021651 0.592361 O\n0.099552 0.094500 0.761720 O\n0.905500 0.900447 0.238279 O\n0.540005 0.025625 0.387171 O\n0.978348 0.664306 0.407639 O\n0.519486 0.339907 0.753854 O\n",
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}