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{
"id": "jvasp-98086",
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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": "Ca9 N6\n1.0\n3.776799 0.000000 -0.000000\n-1.888400 7.324726 -1.359181\n-0.000000 0.013970 9.306858\nCa N\n9 6\ndirect\n0.126871 0.253742 0.278626 Ca\n0.790466 0.580931 0.378615 Ca\n0.827811 0.655622 0.034964 Ca\n0.209535 0.419070 0.621385 Ca\n0.172189 0.344378 0.965036 Ca\n0.873130 0.746259 0.721374 Ca\n0.469621 0.939241 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530380 0.060760 0.659551 Ca\n0.359073 0.718145 0.512239 N\n0.030691 0.061383 0.811904 N\n0.969309 0.938617 0.188097 N\n0.317709 0.635419 0.869376 N\n0.640927 0.281855 0.487761 N\n0.682291 0.364582 0.130625 N\n",
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{
"id": "jvasp-67270",
"created_at": "2022-09-04T14:35:45.064368Z",
"updated_at": "2022-09-04T14:35:45.064395Z",
"structure_string": "Ti1 Be2 Se1\n1.0\n3.185318 0.000000 0.000000\n0.000000 3.185318 0.000000\n0.000000 0.000000 5.173432\nTi Be Se\n1 2 1\ndirect\n0.500000 0.500000 0.742810 Ti\n0.000000 0.000000 0.050391 Be\n0.500000 0.500000 0.213324 Be\n0.000000 0.000000 0.493475 Se\n",
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{
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"updated_at": "2022-09-04T14:35:45.068116Z",
"structure_string": "Dy1 P2 Ru2\n1.0\n3.786255 0.000000 -1.472029\n-0.572299 3.742753 -1.472029\n-0.007958 -0.009267 5.584921\nDy P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.375270 0.375269 0.750540 P\n0.624730 0.624729 0.249459 P\n0.750000 0.249999 0.500000 Ru\n0.250000 0.749999 0.499999 Ru\n",
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"created_at": "2022-09-04T14:35:45.073067Z",
"updated_at": "2022-09-04T14:35:45.073088Z",
"structure_string": "Be1 Ga1 Br4\n1.0\n0.000000 4.512130 4.512130\n4.512130 -0.000000 4.512130\n4.512130 4.512130 0.000000\nBe Ga Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ga\n0.123192 0.625603 0.625603 Br\n0.625603 0.625603 0.625603 Br\n0.625603 0.123192 0.625603 Br\n0.625603 0.625603 0.123192 Br\n",
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{
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"updated_at": "2022-09-04T14:35:45.076797Z",
"structure_string": "Ca1 Hf1 Be2\n1.0\n-2.316196 2.316196 3.275269\n2.316196 -2.316196 3.275269\n2.316196 2.316196 -3.275269\nCa Hf Be\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ca\n0.750001 0.250000 0.500001 Hf\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:35:45.076984Z",
"updated_at": "2022-09-04T14:35:45.077019Z",
"structure_string": "Ca2 Be1 Fe1\n1.0\n5.024026 0.000000 0.000000\n0.000000 5.024026 0.000000\n-0.000000 0.000000 3.421077\nCa Be Fe\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Fe\n",
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{
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"updated_at": "2022-09-04T14:35:45.078104Z",
"structure_string": "Ga1 Fe2 Co1\n1.0\n3.512789 0.000000 2.028109\n1.170930 3.311890 2.028109\n0.000000 0.000000 4.056220\nGa Fe Co\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Co\n",
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{
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"updated_at": "2022-09-04T14:35:45.078222Z",
"structure_string": "Er1 Cd1\n1.0\n3.682737 -0.000000 -0.000000\n0.000000 3.682737 -0.000000\n0.000000 -0.000000 3.682737\nEr Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "V4 O3 F9\n1.0\n-5.110101 0.000000 0.000000\n-2.555050 -4.643801 -0.009848\n0.000000 -2.767757 8.379029\nV O F\n4 3 9\ndirect\n0.715755 0.529617 0.249052 V\n0.495371 0.970383 0.500948 V\n0.270698 0.509529 0.746760 V\n0.030227 0.990471 0.003240 V\n0.536761 0.750000 0.375000 O\n0.407624 0.757462 0.083778 O\n0.415085 0.742538 0.666222 O\n0.928556 0.743911 0.573866 F\n0.922467 0.756089 0.176133 F\n0.970907 0.265085 0.122533 F\n0.579948 0.244255 0.325615 F\n0.577217 0.244807 0.930762 F\n0.485993 0.234915 0.627467 F\n0.017158 0.750000 0.875000 F\n0.072025 0.255194 0.819238 F\n0.074203 0.255746 0.424385 F\n",
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"structure_string": "Mg2 Be1 In1\n1.0\n3.057104 0.000000 0.000000\n0.000000 3.057104 0.000000\n-0.000000 0.000000 8.346197\nMg Be In\n2 1 1\ndirect\n0.000000 0.000000 0.003765 Mg\n0.499999 0.499999 0.293244 Mg\n0.000000 0.000000 0.494136 Be\n0.499999 0.499999 0.708855 In\n",
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}