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{
"id": "jvasp-40140",
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"structure_string": "Ca6 Sn4 S14\n1.0\n3.854038 0.000000 0.000000\n0.000000 11.298545 0.000000\n0.000000 -0.000000 12.479085\nCa Sn S\n6 4 14\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.113605 0.151834 Ca\n0.000000 0.886394 0.848166 Ca\n0.000000 0.613605 0.348166 Ca\n0.000000 0.386394 0.651834 Ca\n0.500000 0.215081 0.892664 Sn\n0.500000 0.784919 0.107336 Sn\n0.500000 0.715081 0.607337 Sn\n0.500000 0.284919 0.392664 Sn\n0.500000 0.078943 0.321554 S\n0.500000 0.921057 0.678446 S\n0.500000 0.578943 0.178446 S\n0.500000 0.421057 0.821554 S\n0.500000 0.296428 0.071332 S\n0.500000 0.703572 0.928669 S\n0.000000 0.858128 0.212876 S\n0.500000 0.203572 0.571332 S\n0.000000 0.358128 0.287124 S\n0.000000 0.641872 0.712876 S\n0.500000 0.500000 0.500000 S\n0.000000 0.141872 0.787124 S\n0.500000 0.796428 0.428669 S\n0.500000 0.000000 0.000000 S\n",
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{
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"structure_string": "Tl4 Te6 O14\n1.0\n6.488485 0.049583 -2.293399\n-3.090402 6.761455 -0.244791\n-0.082686 -0.012580 10.004134\nTl Te O\n4 6 14\ndirect\n0.879846 0.152685 0.827885 Tl\n0.295179 0.023367 0.571043 Tl\n0.120152 0.847314 0.172114 Tl\n0.704819 0.976632 0.428956 Tl\n0.485532 0.215923 0.983279 Te\n0.132725 0.352774 0.233066 Te\n0.263303 0.505988 0.660435 Te\n0.867274 0.647225 0.766933 Te\n0.514466 0.784076 0.016720 Te\n0.736696 0.494011 0.339564 Te\n0.761028 0.837693 0.960312 O\n0.939340 0.532305 0.623596 O\n0.443479 0.550567 0.306557 O\n0.894092 0.766872 0.367672 O\n0.660428 0.101970 0.123373 O\n0.681969 0.475542 0.130709 O\n0.556520 0.449432 0.693443 O\n0.818611 0.848481 0.673001 O\n0.339571 0.898029 0.876626 O\n0.181388 0.151518 0.326998 O\n0.105907 0.233127 0.632328 O\n0.060659 0.467694 0.376403 O\n0.318029 0.524457 0.869290 O\n0.238970 0.162305 0.039687 O\n",
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{
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"created_at": "2022-09-04T14:36:52.822607Z",
"updated_at": "2022-09-04T14:36:52.822625Z",
"structure_string": "Ca6 Ti4 O14\n1.0\n5.493488 0.000000 0.000000\n0.000000 5.245869 -1.414989\n0.000000 -0.088292 10.104320\nCa Ti O\n6 4 14\ndirect\n0.710181 0.754574 -0.000000 Ca\n0.210181 0.245426 -0.000000 Ca\n0.792135 0.570004 0.624541 Ca\n0.292135 0.429997 0.375459 Ca\n0.792135 0.945461 0.375459 Ca\n0.292135 0.054539 0.624541 Ca\n0.757348 0.349347 0.199424 Ti\n0.257348 0.650654 0.800576 Ti\n0.257348 0.850077 0.199424 Ti\n0.757348 0.149923 0.800576 Ti\n0.265860 0.675358 -0.000000 O\n0.765860 0.324642 -0.000000 O\n0.456262 0.123976 0.167198 O\n0.956262 0.876024 0.832802 O\n0.038318 0.571541 0.225725 O\n0.538318 0.428459 0.774275 O\n0.227919 0.014733 0.395826 O\n0.038318 0.345816 0.774275 O\n0.727919 0.381094 0.395826 O\n0.227919 0.618906 0.604174 O\n0.956262 0.043221 0.167198 O\n0.727919 0.985268 0.604174 O\n0.538318 0.654184 0.225725 O\n0.456262 0.956779 0.832802 O\n",
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{
"id": "jvasp-19048",
"created_at": "2022-09-04T14:36:52.696158Z",
"updated_at": "2022-09-04T14:36:52.696190Z",
"structure_string": "Na4 Ti6 O14\n1.0\n0.000000 8.599545 0.007796\n3.811660 0.000000 0.000000\n0.000000 -1.874579 -8.998636\nNa Ti O\n4 6 14\ndirect\n0.498691 0.750000 0.158169 Na\n0.501308 0.250000 0.841831 Na\n0.683353 0.750000 0.587584 Na\n0.316646 0.250000 0.412416 Na\n0.030162 0.750000 0.279721 Ti\n0.969837 0.250000 0.720279 Ti\n0.250163 0.750000 0.676648 Ti\n0.749836 0.250000 0.323352 Ti\n0.147780 0.750000 0.985507 Ti\n0.852219 0.250000 0.014493 Ti\n0.219809 0.750000 0.188956 O\n0.780190 0.250000 0.811044 O\n0.553998 0.250000 0.347105 O\n0.446001 0.750000 0.652895 O\n0.672886 0.250000 0.090462 O\n0.327113 0.750000 0.909538 O\n0.085505 0.250000 0.956823 O\n0.015310 0.750000 0.753951 O\n0.197794 0.250000 0.683901 O\n0.802205 0.750000 0.316099 O\n0.851526 0.250000 0.536485 O\n0.914494 0.750000 0.043177 O\n0.984690 0.250000 0.246049 O\n0.148473 0.750000 0.463515 O\n",
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{
"id": "jvasp-59576",
"created_at": "2022-09-04T14:36:59.185481Z",
"updated_at": "2022-09-04T14:36:59.185502Z",
"structure_string": "Sr3 Mn2 O7\n1.0\n3.764384 0.000000 -0.698612\n-0.129652 3.762150 -0.698612\n-0.013150 -0.013610 10.420414\nSr Mn O\n3 2 7\ndirect\n0.499999 0.500000 0.000000 Sr\n0.316991 0.316993 0.633983 Sr\n0.683009 0.683007 0.366015 Sr\n0.097037 0.097037 0.194074 Mn\n0.902962 0.902963 0.805926 Mn\n0.904502 0.404504 0.809007 O\n0.404504 0.904504 0.809007 O\n0.095498 0.595496 0.190993 O\n0.595496 0.095496 0.190993 O\n0.807985 0.807987 0.615972 O\n0.000000 0.000000 0.000000 O\n0.192013 0.192013 0.384028 O\n",
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{
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"created_at": "2022-09-04T14:38:35.974455Z",
"updated_at": "2022-09-04T14:38:35.974482Z",
"structure_string": "Sr3 Ru2 O7\n1.0\n3.828211 -0.000000 -0.706436\n-0.130362 3.825991 -0.706436\n0.013798 0.014276 10.800619\nSr Ru O\n3 2 7\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.686061 0.686061 0.372121 Sr\n0.313940 0.313940 0.627879 Sr\n0.098618 0.098618 0.197234 Ru\n0.901383 0.901383 0.802765 Ru\n0.402383 0.902383 0.804764 O\n0.902383 0.402383 0.804764 O\n0.597617 0.097618 0.195235 O\n0.097618 0.597617 0.195235 O\n0.803212 0.803212 0.606423 O\n0.000000 0.000000 0.000000 O\n0.196789 0.196789 0.393577 O\n",
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{
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"created_at": "2022-09-04T14:38:47.762704Z",
"updated_at": "2022-09-04T14:38:47.762731Z",
"structure_string": "Ce3 Ni2 Ge7\n1.0\n12.881583 -0.016641 0.000000\n-12.174870 4.208086 0.000000\n-0.000000 -0.000000 4.293380\nCe Ni Ge\n3 2 7\ndirect\n0.683987 0.316014 0.500000 Ce\n0.316014 0.683988 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.871752 0.128249 -0.000000 Ni\n0.128249 0.871752 -0.000000 Ni\n0.587668 0.412333 -0.000000 Ge\n0.412333 0.587668 -0.000000 Ge\n0.778977 0.221023 -0.000000 Ge\n0.221024 0.778978 -0.000000 Ge\n0.912020 0.087981 0.500000 Ge\n0.087981 0.912020 0.500000 Ge\n0.500000 0.500001 0.500000 Ge\n",
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{
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"created_at": "2022-09-04T14:38:35.916526Z",
"updated_at": "2022-09-04T14:38:35.916555Z",
"structure_string": "Zn6 Cr4 O14\n1.0\n5.098859 0.000000 0.000000\n-0.000000 4.923794 -1.328114\n0.000000 -0.077150 9.505162\nZn Cr O\n6 4 14\ndirect\n0.718596 0.744945 0.000000 Zn\n0.218596 0.255054 0.000000 Zn\n0.793545 0.571215 0.600896 Zn\n0.293545 0.428785 0.399104 Zn\n0.793545 0.970317 0.399104 Zn\n0.293545 0.029683 0.600896 Zn\n0.754105 0.352768 0.202961 Cr\n0.254105 0.647231 0.797039 Cr\n0.254105 0.850193 0.202962 Cr\n0.754105 0.149806 0.797039 Cr\n0.319426 0.637092 0.000000 O\n0.819426 0.362907 0.000000 O\n0.437090 0.148143 0.154170 O\n0.937090 0.851857 0.845830 O\n0.071806 0.552092 0.254243 O\n0.571806 0.447908 0.745757 O\n0.184445 0.054462 0.404093 O\n0.071806 0.297849 0.745757 O\n0.684445 0.349632 0.404094 O\n0.184445 0.650367 0.595907 O\n0.937090 0.006027 0.154170 O\n0.684445 0.945537 0.595907 O\n0.571806 0.702150 0.254243 O\n0.437090 -0.006026 0.845830 O\n",
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{
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"structure_string": "Ca3 Sn2 S7\n1.0\n3.528182 -3.528182 0.000000\n3.528182 3.528182 -0.000000\n-3.528182 -0.000000 11.688805\nCa Sn S\n3 2 7\ndirect\n0.500000 0.500000 0.000000 Ca\n0.329717 0.329717 0.659434 Ca\n0.670283 0.670283 0.340566 Ca\n0.112298 0.112298 0.224596 Sn\n0.887702 0.887702 0.775404 Sn\n0.000000 0.000000 0.000000 S\n0.590505 0.090505 0.181012 S\n0.090505 0.590505 0.181012 S\n0.409495 0.909495 0.818989 S\n0.909495 0.409495 0.818989 S\n0.214722 0.214722 0.429443 S\n0.785278 0.785278 0.570557 S\n",
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{
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"structure_string": "Ca6 Co4 O14\n1.0\n5.233514 0.000000 -0.000000\n-0.000000 5.008305 -1.350909\n-0.000000 0.031499 10.076020\nCa Co O\n6 4 14\ndirect\n0.705283 0.757239 0.000000 Ca\n0.205284 0.242762 0.000000 Ca\n0.785988 0.565990 0.625916 Ca\n0.285989 0.434011 0.374084 Ca\n0.785988 0.940073 0.374084 Ca\n0.285989 0.059928 0.625916 Ca\n0.748631 0.346697 0.193358 Co\n0.248631 0.653305 0.806642 Co\n0.248631 0.846662 0.193358 Co\n0.748631 0.153339 0.806642 Co\n0.258027 0.681812 0.000000 O\n0.758026 0.318189 0.000000 O\n0.452029 0.131740 0.168738 O\n0.952029 0.868261 0.831263 O\n0.043965 0.562209 0.217485 O\n0.543965 0.437792 0.782515 O\n0.247730 0.983845 0.390434 O\n0.043965 0.344723 0.782515 O\n0.747730 0.406590 0.390434 O\n0.247730 0.593411 0.609566 O\n0.952029 0.036998 0.168738 O\n0.747730 0.016156 0.609566 O\n0.543965 0.655278 0.217485 O\n0.452029 0.963003 0.831263 O\n",
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"created_at": "2022-09-04T14:38:35.902225Z",
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"structure_string": "Na4 Si6 O14\n1.0\n4.874103 -0.000000 -0.000000\n-2.437051 4.401693 -0.965070\n-0.000000 0.033048 11.580026\nNa Si O\n4 6 14\ndirect\n0.852011 0.297334 0.184230 Na\n0.554677 0.702665 0.315770 Na\n0.147989 0.702665 0.815770 Na\n0.445322 0.297335 0.684230 Na\n0.171293 0.914314 0.114705 Si\n0.828707 0.085686 0.885295 Si\n0.743020 0.914314 0.614705 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.256979 0.085686 0.385295 Si\n0.925074 0.719234 0.629151 O\n0.205839 0.280766 0.870850 O\n0.643676 0.000000 0.750000 O\n0.316165 0.729860 0.033444 O\n0.586304 0.270139 0.466556 O\n0.683834 0.270139 0.966556 O\n0.413695 0.729861 0.533444 O\n0.003148 0.752834 0.410466 O\n0.250314 0.247166 0.089534 O\n0.996852 0.247166 0.589535 O\n0.749686 0.752834 0.910466 O\n0.356323 0.000000 0.250000 O\n0.794160 0.719234 0.129151 O\n0.074925 0.280766 0.370849 O\n",
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{
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"created_at": "2022-09-04T14:38:36.035154Z",
"updated_at": "2022-09-04T14:38:36.035175Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n-0.000000 0.000000 -6.915922\n0.000000 -7.083848 0.000000\n-11.790347 3.541923 -0.000000\nCa Sn S\n6 4 14\ndirect\n0.250000 0.201461 0.000000 Ca\n0.750000 0.798539 0.000000 Ca\n0.250000 0.403308 0.370236 Ca\n0.750000 0.966928 0.370236 Ca\n0.750000 0.596693 0.629764 Ca\n0.250000 0.033073 0.629764 Ca\n0.250000 0.841328 0.207950 Sn\n0.750000 0.366623 0.207950 Sn\n0.750000 0.158673 0.792050 Sn\n0.250000 0.633378 0.792050 Sn\n0.500000 0.075531 0.151061 S\n0.000000 0.075531 0.151061 S\n0.000000 0.639062 0.278123 S\n0.500000 0.639062 0.278123 S\n0.000000 0.360939 0.721877 S\n0.500000 0.360939 0.721877 S\n0.750000 0.388214 0.000000 S\n0.750000 0.950335 0.588413 S\n0.750000 0.361921 0.411587 S\n0.250000 0.049666 0.411587 S\n0.000000 0.924470 0.848940 S\n0.250000 0.611786 0.000000 S\n0.250000 0.638080 0.588413 S\n0.500000 0.924470 0.848940 S\n",
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}