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{
"id": "jvasp-15854",
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"structure_string": "Al1 Co3 C1\n1.0\n3.727241 0.000000 -0.000000\n-0.000000 3.727241 0.000000\n0.000000 -0.000000 3.727241\nAl Co C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 C\n",
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{
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"structure_string": "Ba2 H8 O6\n1.0\n0.000000 3.994171 -0.028831\n5.784386 0.000000 0.000000\n0.000000 -0.051976 -7.171507\nBa H O\n2 8 6\ndirect\n-0.000009 0.193666 0.683432 Ba\n0.000008 0.693666 0.316568 Ba\n0.799172 0.205347 0.125621 H\n0.200806 0.205341 0.125602 H\n0.200826 0.705347 0.874379 H\n0.799193 0.705342 0.874398 H\n0.499991 0.407586 -0.022642 H\n0.500009 0.907587 0.022642 H\n0.500080 0.596636 0.592326 H\n0.499919 0.096636 0.407674 H\n0.000007 0.194515 0.212842 O\n-0.000008 0.694515 0.787158 O\n0.499985 0.237754 0.967814 O\n0.500013 0.737755 0.032186 O\n0.500022 0.455789 0.516515 O\n0.499977 0.955790 0.483486 O\n",
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{
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"updated_at": "2022-09-04T14:37:04.454160Z",
"structure_string": "Cr6 O2\n1.0\n-1.367402 4.704591 1.367401\n-1.367401 1.367402 4.704591\n4.704591 -1.367401 -1.367402\nCr O\n6 2\ndirect\n0.750005 0.067382 0.567392 Cr\n0.432608 0.750005 0.932618 Cr\n0.067382 0.432609 0.249995 Cr\n0.249997 0.932581 0.432575 Cr\n0.567425 0.249997 0.067420 Cr\n0.932580 0.567426 0.750003 Cr\n0.499994 0.499995 0.500006 O\n0.000007 0.000007 -0.000007 O\n",
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},
{
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"created_at": "2022-09-04T14:38:45.330398Z",
"updated_at": "2022-09-04T14:38:45.330422Z",
"structure_string": "Li2 Co2 P4 O14\n1.0\n6.119144 0.023011 0.443103\n0.679033 5.630615 2.433019\n0.050953 0.005644 6.621808\nLi Co P O\n2 2 4 14\ndirect\n0.016040 0.712858 0.822384 Li\n0.983958 0.287142 0.177616 Li\n0.637481 0.087084 0.788994 Co\n0.362517 0.912916 0.211007 Co\n0.595733 0.651661 0.654662 P\n0.874212 0.782268 0.235775 P\n0.125786 0.217732 0.764225 P\n0.404266 0.348339 0.345338 P\n0.613155 0.213430 0.474915 O\n0.042393 0.937973 0.252395 O\n0.787994 0.638988 0.477672 O\n0.212004 0.361012 0.522328 O\n0.037947 0.391260 0.862927 O\n0.962052 0.608740 0.137073 O\n0.319127 0.225521 0.211862 O\n0.680872 0.774479 0.788138 O\n0.386844 0.786570 0.525086 O\n0.333529 0.040281 0.883635 O\n0.423134 0.606041 0.195431 O\n0.576865 0.393959 0.804569 O\n0.957606 0.062027 0.747605 O\n0.666469 0.959719 0.116365 O\n",
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{
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"created_at": "2022-09-04T14:38:45.485798Z",
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"structure_string": "Cd1 H2 C3 O4\n1.0\n3.377032 -0.012671 0.431153\n0.784915 4.452632 1.545222\n-0.025255 0.106906 6.914479\nCd H C O\n1 2 3 4\ndirect\n0.621017 0.155545 0.439124 Cd\n0.129191 0.284308 -0.003902 H\n0.745071 0.667936 0.951426 H\n0.245357 0.822531 0.181808 C\n0.007443 0.024709 0.823837 C\n0.101925 0.058664 0.003530 C\n0.877870 0.778095 0.816783 O\n0.023217 0.233104 0.645310 O\n0.417459 0.558963 0.169002 O\n0.229157 0.874990 0.357425 O\n",
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{
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"structure_string": "Li8 Pr1 O6\n1.0\n5.151527 0.065782 3.938312\n1.983462 4.754833 3.938312\n0.097363 0.065782 6.483754\nLi Pr O\n8 1 6\ndirect\n0.374834 0.374833 0.374833 Li\n0.499324 0.905006 0.220692 Li\n0.220692 0.499323 0.905006 Li\n0.905007 0.220692 0.499323 Li\n0.500676 0.094993 0.779307 Li\n0.779308 0.500676 0.094993 Li\n0.625167 0.625166 0.625166 Li\n0.094993 0.779307 0.500676 Li\n0.000000 0.000000 0.000000 Pr\n0.245132 0.884856 0.597589 O\n0.115143 0.402411 0.754868 O\n0.754868 0.115143 0.402411 O\n0.597589 0.245132 0.884856 O\n0.884857 0.597588 0.245132 O\n0.402411 0.754867 0.115143 O\n",
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{
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"created_at": "2022-09-04T14:36:20.699544Z",
"updated_at": "2022-09-04T14:36:20.699556Z",
"structure_string": "Fe6 O7 F5\n1.0\n4.536328 0.015350 0.042652\n0.125370 5.461563 0.052697\n0.127432 0.610956 7.532492\nFe O F\n6 7 5\ndirect\n0.516721 0.152379 0.334991 Fe\n0.458715 0.475820 0.986084 Fe\n0.524638 0.825285 0.662599 Fe\n0.994033 0.671945 0.319793 Fe\n0.964257 0.350539 0.677487 Fe\n0.019015 0.013228 0.021855 Fe\n0.207150 0.695098 0.104759 O\n0.304352 0.199748 0.117873 O\n0.305172 0.553787 0.758018 O\n0.791262 0.304032 0.904649 O\n0.783032 0.954012 0.239586 O\n0.799831 0.637047 0.545071 O\n0.691376 0.122798 0.559272 O\n0.212687 0.040523 0.766103 F\n0.715876 0.804157 0.905712 F\n0.711098 0.436461 0.236309 F\n0.285195 0.887364 0.429895 F\n0.215590 0.375781 0.429941 F\n",
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"created_at": "2022-09-04T14:38:35.902225Z",
"updated_at": "2022-09-04T14:38:35.902245Z",
"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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"structure_string": "Cr2 N4\n1.0\n3.453337 0.000000 1.387876\n0.723080 4.003012 3.191084\n-0.008365 0.715485 5.011079\nCr N\n2 4\ndirect\n0.353753 0.965635 0.326859 Cr\n0.646247 0.034365 0.673141 Cr\n0.143834 0.131352 0.580978 N\n0.856165 0.868649 0.419021 N\n0.396857 0.342817 0.863467 N\n0.603143 0.657184 0.136533 N\n",
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{
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"structure_string": "Li4 Si4 Ni4 O14\n1.0\n5.015066 0.000000 0.000000\n-2.507533 4.112912 0.000000\n0.000000 0.000000 13.057951\nLi Si Ni O\n4 4 4 14\ndirect\n0.341689 0.594450 0.583241 Li\n0.341689 0.594450 0.916759 Li\n0.747239 0.405549 0.416759 Li\n0.747239 0.405549 0.083241 Li\n0.398683 0.702607 0.363633 Si\n0.398683 0.702607 0.136367 Si\n0.696076 0.297393 0.636367 Si\n0.696076 0.297393 0.863632 Si\n0.014176 0.996356 0.750000 Ni\n0.017819 0.003643 0.250000 Ni\n0.040040 0.000000 0.000000 Ni\n0.040040 0.000000 0.500000 Ni\n0.327909 0.193188 0.864917 O\n0.752618 0.027729 0.130255 O\n0.752618 0.027729 0.369745 O\n0.848825 0.487234 0.750000 O\n0.327909 0.193188 0.635083 O\n0.367973 0.446906 0.449333 O\n0.134721 0.806812 0.135083 O\n0.724889 0.972271 0.630255 O\n0.724889 0.972271 0.869745 O\n0.361590 0.512765 0.250000 O\n0.134721 0.806812 0.364917 O\n0.921069 0.553094 0.949333 O\n0.367973 0.446906 0.050667 O\n0.921069 0.553094 0.550667 O\n",
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{
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"structure_string": "Li4 Fe2 Si2 O8\n1.0\n4.965074 0.000000 0.000000\n0.000000 5.326696 0.000000\n0.000000 0.000000 6.267331\nLi Fe Si O\n4 2 2 8\ndirect\n0.057009 0.667303 0.250371 Li\n0.557009 0.332697 0.249629 Li\n0.557009 0.332697 0.750371 Li\n0.057009 0.667303 0.749629 Li\n0.059266 0.174921 0.500000 Fe\n0.559266 0.825080 0.000000 Fe\n0.050574 0.168838 0.000000 Si\n0.550573 0.831163 0.500000 Si\n0.717616 0.174931 0.000000 O\n0.161042 0.315671 0.216028 O\n0.217616 0.825070 0.500000 O\n0.651441 0.128155 0.500000 O\n0.661041 0.684330 0.716027 O\n0.661041 0.684330 0.283972 O\n0.161042 0.315671 0.783972 O\n0.151442 0.871846 0.000000 O\n",
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}