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{
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{
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{
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"structure_string": "B2 Br1\n1.0\n8.328137 0.000000 -4.397166\n0.000000 3.421533 0.000000\n-5.119897 0.000000 4.749852\nB Br\n2 1\ndirect\n-0.212842 0.000000 -0.331060 B\n0.292830 0.000000 0.173670 B\n0.082231 0.000000 0.345612 Br\n",
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{
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"structure_string": "Na4 As4 S8\n1.0\n0.000000 5.620266 -0.047637\n11.439392 0.000000 0.000000\n0.000000 0.000088 -5.790472\nNa As S\n4 4 8\ndirect\n0.237061 0.375784 0.499525 Na\n0.762940 0.624216 0.500475 Na\n0.737061 0.124216 0.499525 Na\n0.262940 0.875784 0.500475 Na\n0.249404 0.642669 0.054252 As\n0.250597 0.142669 0.945748 As\n0.750597 0.357331 0.945748 As\n0.749404 0.857331 0.054252 As\n0.330528 0.844189 -0.006781 S\n0.830528 0.655811 -0.006781 S\n0.169473 0.344189 0.006782 S\n0.669473 0.155811 0.006782 S\n0.764888 0.874771 0.432970 S\n0.735113 0.374771 0.567031 S\n0.235113 0.125229 0.567030 S\n0.264888 0.625228 0.432969 S\n",
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"updated_at": "2022-09-04T14:38:32.430343Z",
"structure_string": "Mg2 V2 O6\n1.0\n4.681248 0.000000 -2.418952\n0.000000 5.254612 0.000000\n0.006138 0.000000 5.751022\nMg V O\n2 2 6\ndirect\n0.575317 0.012821 0.150634 Mg\n0.424683 0.512821 0.849366 Mg\n0.929266 0.012802 0.858529 V\n0.070735 0.512801 0.141471 V\n0.237692 0.262812 -0.000017 O\n0.762309 0.762811 0.000018 O\n0.762291 0.262812 -0.000017 O\n0.237709 0.762811 0.000017 O\n0.765587 0.012756 0.531172 O\n0.234414 0.512756 0.468829 O\n",
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{
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"structure_string": "Na1 Y1 Si1\n1.0\n4.194738 0.000000 2.421832\n1.398246 3.954836 2.421832\n0.000000 0.000000 4.843666\nNa Y Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Y\n0.500001 0.500000 0.499999 Si\n",
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{
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"created_at": "2022-09-04T14:38:07.706079Z",
"updated_at": "2022-09-04T14:38:07.706108Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n-1.773814 1.582198 4.543495\n-7.532286 -0.360497 0.185043\n0.499184 -7.524367 -0.185044\nLi Mn Si O\n4 2 4 12\ndirect\n0.496756 0.795957 0.584946 Li\n0.250000 0.794785 0.794784 Li\n0.003246 0.584947 0.795958 Li\n0.750001 0.221340 0.221341 Li\n0.750001 0.960680 0.960680 Mn\n0.250000 0.184274 0.184274 Mn\n0.858210 0.777501 0.368567 Si\n0.353054 0.616120 0.198899 Si\n0.641791 0.368566 0.777501 Si\n0.146947 0.198899 0.616120 Si\n0.832807 0.217570 0.978015 O\n0.295112 0.363124 0.702477 O\n0.374194 0.400929 0.166419 O\n0.808319 0.276807 0.625440 O\n0.204889 0.702477 0.363124 O\n0.667194 0.978015 0.217570 O\n0.691682 0.625440 0.276807 O\n0.138648 0.752208 -0.003753 O\n0.878207 0.792528 0.585826 O\n0.125806 0.166419 0.400929 O\n0.621795 0.585825 0.792528 O\n0.361352 -0.003753 0.752207 O\n",
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{
"id": "jvasp-14163",
"created_at": "2022-09-04T14:37:07.232381Z",
"updated_at": "2022-09-04T14:37:07.232404Z",
"structure_string": "As8 S12\n1.0\n0.000000 4.565508 0.000281\n10.888128 0.000000 0.000000\n0.000000 -4.506033 -11.363489\nAs S\n8 12\ndirect\n0.134801 0.819065 0.980557 As\n0.865201 0.319065 0.519443 As\n0.865200 0.180935 0.019443 As\n0.134801 0.680935 0.480557 As\n0.423048 0.688684 0.769453 As\n0.576954 0.188683 0.730548 As\n0.576954 0.311317 0.230548 As\n0.423047 0.811317 0.269453 As\n0.093964 0.363439 0.094202 S\n0.906037 0.863440 0.405798 S\n0.342408 0.626054 0.342165 S\n0.657593 0.126054 0.157835 S\n0.657593 0.373946 0.657835 S\n0.441810 0.275124 0.877522 S\n0.558191 0.724876 0.122478 S\n0.441810 0.224876 0.377522 S\n0.093965 0.136561 0.594202 S\n0.558191 0.775124 0.622478 S\n0.342408 0.873946 0.842165 S\n0.906037 0.636561 0.905798 S\n",
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{
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"structure_string": "Ca8 Sn4 S16\n1.0\n6.998026 -0.000000 0.000000\n-0.000000 8.450825 0.000000\n0.000000 0.000000 12.699088\nCa Sn S\n8 4 16\ndirect\n0.750000 0.093316 0.345008 Ca\n0.750000 0.593316 0.154992 Ca\n0.250000 0.906684 0.654992 Ca\n0.250000 0.406684 0.845008 Ca\n0.750000 0.379717 0.573591 Ca\n0.750000 0.879717 0.926409 Ca\n0.250000 0.620284 0.426409 Ca\n0.250000 0.120284 0.073591 Ca\n0.250000 0.219248 0.467275 Sn\n0.250000 0.719248 0.032725 Sn\n0.750000 0.780753 0.532725 Sn\n0.750000 0.280753 0.967275 Sn\n0.750000 0.763831 0.344822 S\n0.750000 0.263831 0.155178 S\n0.250000 0.446614 0.079719 S\n0.250000 0.946614 0.420281 S\n0.750000 0.553387 0.920282 S\n0.750000 0.053386 0.579719 S\n0.513206 0.861607 0.109854 S\n0.986794 0.861607 0.109854 S\n0.013206 0.138394 0.890147 S\n0.486794 0.638394 0.609854 S\n0.486794 0.138394 0.890147 S\n0.013206 0.638394 0.609854 S\n0.250000 0.736170 0.844822 S\n0.513206 0.361606 0.390147 S\n0.986794 0.361606 0.390147 S\n0.250000 0.236170 0.655178 S\n",
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{
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"structure_string": "Be12 Si6 O24\n1.0\n7.386635 0.001189 -2.399388\n-3.302516 6.607251 -2.399388\n0.000735 0.001189 7.766559\nBe Si O\n12 6 24\ndirect\n0.127330 0.897993 0.721512 Be\n0.794228 0.568751 0.390139 Be\n0.568751 0.390140 0.794228 Be\n0.390139 0.794228 0.568751 Be\n0.431249 0.609860 0.205772 Be\n0.609860 0.205772 0.431249 Be\n0.205772 0.431249 0.609860 Be\n0.102006 0.278487 0.872669 Be\n0.872670 0.102007 0.278487 Be\n0.721513 0.127331 0.897993 Be\n0.897993 0.721513 0.127330 Be\n0.278487 0.872669 0.102006 Be\n0.461641 0.233994 0.054570 Si\n0.538358 0.766006 0.945430 Si\n0.054569 0.461641 0.233994 Si\n0.233994 0.054570 0.461641 Si\n0.766005 0.945430 0.538358 Si\n0.945430 0.538359 0.766006 Si\n0.959541 0.662440 0.628684 O\n0.706340 0.375468 0.671113 O\n0.671113 0.706341 0.375467 O\n0.375467 0.671113 0.706340 O\n0.293659 0.624532 0.328887 O\n0.294448 0.996400 0.962486 O\n0.996400 0.962486 0.294449 O\n0.962486 0.294450 0.996400 O\n0.705551 0.003600 0.037514 O\n0.003600 0.037514 0.705551 O\n0.037513 0.705550 0.003600 O\n0.583679 0.250537 0.916037 O\n0.250536 0.916037 0.583679 O\n0.916038 0.583679 0.250536 O\n0.416321 0.749463 0.083962 O\n0.749464 0.083963 0.416321 O\n0.083962 0.416321 0.749463 O\n0.337561 0.371316 0.040459 O\n0.371316 0.040459 0.337561 O\n0.040459 0.337561 0.371315 O\n0.328887 0.293660 0.624532 O\n0.628684 0.959541 0.662439 O\n0.624532 0.328887 0.293659 O\n0.662439 0.628685 0.959541 O\n",
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"structure_string": "Li2 V2 P4 O14\n1.0\n6.249300 -0.289034 -0.077616\n-2.448185 5.928068 -0.013612\n-1.916273 -1.864212 7.359370\nLi V P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.585665 0.308007 0.769024 V\n0.414337 0.691994 0.230976 V\n0.157638 0.430980 0.779461 P\n0.545522 0.771705 0.681828 P\n0.454480 0.228296 0.318172 P\n0.842363 0.569022 0.220539 P\n0.441367 0.006728 0.210370 O\n0.287296 0.312204 0.199216 O\n0.738665 0.435585 0.367010 O\n0.118075 0.646495 0.290342 O\n0.599682 0.794887 0.502557 O\n0.400320 0.205115 0.497443 O\n0.558633 -0.006728 0.789629 O\n0.261337 0.564416 0.632990 O\n0.712705 0.687797 0.800783 O\n0.790081 0.785174 0.237052 O\n0.209921 0.214827 0.762948 O\n0.292426 0.604762 0.967084 O\n0.881927 0.353506 0.709658 O\n0.707576 0.395239 0.032916 O\n",
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}