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{
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{
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{
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"structure_string": "Mg3 Cr1\n1.0\n6.052821 0.202264 0.000000\n-1.425622 2.469250 0.000000\n0.000000 -0.000000 4.784557\nMg Cr\n3 1\ndirect\n0.652669 0.652668 0.250000 Mg\n0.327168 0.327167 0.750001 Mg\n0.866892 0.366891 0.750001 Mg\n0.153271 0.653271 0.250000 Cr\n",
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{
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"structure_string": "Nb6 Cl30\n1.0\n5.796941 -0.008266 0.041959\n0.088353 12.771453 0.333919\n-0.019922 -0.002561 12.776108\nNb Cl\n6 30\ndirect\n0.000000 0.111523 0.888477 Nb\n0.487356 0.221660 0.444818 Nb\n0.512644 0.555181 0.778340 Nb\n-0.000000 0.888476 0.111523 Nb\n0.487356 0.444818 0.221661 Nb\n0.512644 0.778339 0.555182 Nb\n0.265575 0.802924 0.417273 Cl\n0.734425 0.582726 0.197076 Cl\n0.285206 0.614029 0.614029 Cl\n0.240794 0.469458 0.083580 Cl\n0.724752 0.132493 0.327926 Cl\n0.275248 0.672074 0.867507 Cl\n0.275248 0.867507 0.672075 Cl\n0.724752 0.327925 0.132493 Cl\n0.240794 0.083580 0.469459 Cl\n0.759204 0.530541 0.916420 Cl\n0.759204 0.916419 0.530542 Cl\n0.714793 0.385971 0.385971 Cl\n0.249262 0.338218 0.534111 Cl\n0.230738 0.947325 0.947326 Cl\n0.750738 0.465889 0.661783 Cl\n0.750737 0.661782 0.465890 Cl\n0.249262 0.534110 0.338218 Cl\n0.734425 0.197075 0.582727 Cl\n0.265575 0.417273 0.802925 Cl\n0.751511 0.249810 0.863698 Cl\n0.259270 0.280679 0.280679 Cl\n0.248489 0.136302 0.750190 Cl\n0.751511 0.863697 0.249810 Cl\n0.232548 0.200701 0.005232 Cl\n0.767451 0.994767 0.799299 Cl\n0.767452 0.799298 0.994768 Cl\n0.232548 0.005232 0.200701 Cl\n0.769261 0.052674 0.052675 Cl\n0.248489 0.750189 0.136302 Cl\n0.740729 0.719320 0.719321 Cl\n",
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{
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"created_at": "2022-09-04T14:36:36.646556Z",
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"structure_string": "Ca2 N1 Cl1\n1.0\n3.524067 0.005657 5.931966\n1.633444 3.122649 5.931966\n0.009326 0.005657 6.899795\nCa N Cl\n2 1 1\ndirect\n0.770963 0.770965 0.770964 Ca\n0.229037 0.229037 0.229037 Ca\n0.500000 0.500001 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Ta2 P8 S10 Cl10\n1.0\n6.274399 -0.057617 -1.518116\n-3.319035 9.414212 -1.309117\n0.002158 0.055605 12.720143\nTa P S Cl\n2 8 10 10\ndirect\n0.384738 0.262125 0.149340 Ta\n0.615262 0.737874 0.850659 Ta\n0.073287 0.420856 0.690871 P\n0.956529 0.896834 0.254914 P\n0.926712 0.579143 0.309128 P\n0.751415 0.683212 0.411532 P\n0.043470 0.103165 0.745085 P\n0.120366 0.816259 0.512522 P\n0.248584 0.316787 0.588467 P\n0.879633 0.183740 0.487477 P\n0.659115 0.816430 0.311516 S\n0.989385 0.697819 0.187523 S\n0.214211 0.636073 0.447255 S\n0.830310 0.369608 0.246156 S\n0.010615 0.302180 0.812476 S\n0.785788 0.363926 0.552744 S\n0.207231 0.971533 0.413960 S\n0.169689 0.630391 0.753843 S\n0.340885 0.183569 0.688483 S\n0.792768 0.028466 0.586039 S\n0.521924 0.785556 0.014387 Cl\n0.478075 0.214443 -0.014388 Cl\n0.386440 0.487596 0.124423 Cl\n0.613560 0.512403 0.875576 Cl\n0.458007 0.056639 0.195143 Cl\n0.651056 0.683033 0.669134 Cl\n0.541992 0.943360 0.804856 Cl\n0.999261 0.845657 0.928846 Cl\n0.000738 0.154342 0.071153 Cl\n0.348944 0.316966 0.330865 Cl\n",
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{
"id": "jvasp-119745",
"created_at": "2022-09-04T14:38:49.841467Z",
"updated_at": "2022-09-04T14:38:49.841494Z",
"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n6.138158 0.000000 0.000000\n0.000000 4.986581 0.500674\n0.000000 0.521460 8.883901\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.767088 0.073586 0.309672 Li\n0.232913 0.073586 0.309672 Li\n0.725131 0.289146 0.763004 Li\n0.274869 0.289146 0.763004 Li\n0.771206 0.770791 -0.047882 Li\n0.228794 0.770791 -0.047882 Li\n0.500000 0.551154 0.326505 Fe\n-0.000000 0.958547 0.645504 Fe\n0.500000 0.784081 0.625895 P\n-0.000000 0.525459 0.444665 P\n-0.000000 0.223730 0.010725 C\n0.500000 0.349496 0.061671 C\n0.500000 0.255644 0.936355 O\n0.300751 0.884995 0.713212 O\n0.699249 0.884995 0.713212 O\n-0.000000 0.380322 0.613512 O\n0.500000 0.476226 0.639988 O\n-0.000000 0.837299 0.440861 O\n0.500000 0.194227 0.192022 O\n0.798477 0.440982 0.361015 O\n0.201523 0.440982 0.361015 O\n-0.000000 0.104399 0.148265 O\n0.500000 0.613789 0.065571 O\n-0.000000 0.069285 0.901754 O\n0.500000 0.898810 0.453598 O\n-0.000000 0.483805 0.969671 O\n",
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{
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"structure_string": "K2 Ni1 O2\n1.0\n3.767240 0.000000 -1.108538\n-0.326196 3.753091 -1.108538\n0.003448 0.003761 6.967253\nK Ni O\n2 1 2\ndirect\n0.654177 0.654178 0.308356 K\n0.345821 0.345822 0.691643 K\n0.000000 0.000000 0.000000 Ni\n0.133526 0.133525 0.267049 O\n0.866476 0.866474 0.732949 O\n",
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{
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"structure_string": "Li5 Mn1 F8\n1.0\n5.942973 -0.120406 -0.263214\n-3.075761 5.086562 0.263214\n2.791331 -1.611576 4.558225\nLi Mn F\n5 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n-0.000000 0.499999 0.499999 Li\n0.500000 0.499999 0.000000 Li\n0.499999 -0.000000 0.000000 Li\n0.499999 -0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.274867 0.725132 0.225132 F\n0.234394 0.234394 0.231121 F\n0.240370 0.759628 0.759628 F\n0.234394 0.234393 0.768878 F\n0.765605 0.765604 0.231121 F\n0.759628 0.240370 0.240371 F\n0.765605 0.765604 0.768878 F\n0.725132 0.274866 0.774867 F\n",
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{
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"structure_string": "Si2 P4 O14\n1.0\n2.369543 -4.104168 0.000000\n2.369543 4.104168 0.000000\n-0.000000 0.000000 12.115354\nSi P O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.333332 0.666666 0.879677 P\n0.666666 0.333332 0.120322 P\n0.666666 0.333332 0.379677 P\n0.333332 0.666666 0.620322 P\n0.938587 0.268865 0.413761 O\n0.731133 0.669721 0.413761 O\n0.669721 0.938587 0.586239 O\n0.938587 0.268865 0.086239 O\n0.061412 0.731134 0.913761 O\n0.330278 0.061412 0.413761 O\n0.669721 0.938587 0.913761 O\n0.333332 0.666666 0.750000 O\n0.268866 0.330278 0.913761 O\n0.268866 0.330278 0.586239 O\n0.330278 0.061412 0.086239 O\n0.731133 0.669721 0.086239 O\n0.061412 0.731134 0.586239 O\n0.666666 0.333332 0.250000 O\n",
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{
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"structure_string": "Ca1 V2 P2 H8 O14\n1.0\n6.344425 0.029146 -0.444981\n-0.114503 6.082203 -1.844057\n0.009673 -0.023519 6.594730\nCa V P H O\n1 2 2 8 14\ndirect\n0.535537 0.469472 0.153661 Ca\n0.832043 0.504602 0.705336 V\n0.320025 0.935345 0.519222 V\n0.330342 0.468336 0.623837 P\n0.830378 0.969095 0.607603 P\n0.709269 -0.002777 -0.012156 H\n0.685924 0.064695 0.241597 H\n0.175918 0.182026 0.975046 H\n0.184051 0.252203 0.230986 H\n0.419923 0.910278 0.100900 H\n0.919702 0.716665 0.202054 H\n0.979698 0.470195 0.092458 H\n0.226463 0.741913 0.017627 H\n0.008401 0.891229 0.452247 O\n0.326080 0.806708 0.143227 O\n0.872426 0.585761 0.080786 O\n0.626236 0.934569 0.456748 O\n0.819090 0.834545 0.769467 O\n0.862741 0.209436 0.744395 O\n0.787079 0.444123 0.447844 O\n0.296547 0.231414 0.472247 O\n0.142445 0.546099 0.761734 O\n0.357359 0.610337 0.471747 O\n0.323479 0.009211 0.776478 O\n0.177004 0.308945 0.105063 O\n0.527147 0.488188 0.782679 O\n0.629083 0.089188 0.107465 O\n",
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{
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"created_at": "2022-09-04T14:38:34.461451Z",
"updated_at": "2022-09-04T14:38:34.461478Z",
"structure_string": "Li4 Ca3 Si2 N6\n1.0\n5.658706 -0.004433 -0.030909\n-2.693745 4.976416 -0.030909\n-0.008666 -0.014531 5.971305\nLi Ca Si N\n4 3 2 6\ndirect\n0.036335 0.683512 0.124957 Li\n0.683512 0.036336 0.124957 Li\n0.963664 0.316489 0.875043 Li\n0.316487 0.963665 0.875043 Li\n0.314887 0.685113 0.500000 Ca\n0.685112 0.314889 0.500000 Ca\n0.500000 0.500001 -0.000000 Ca\n0.882329 0.882330 0.670819 Si\n0.117671 0.117671 0.329181 Si\n0.363927 0.064004 0.208142 N\n0.805213 0.805214 0.366884 N\n0.194787 0.194787 0.633116 N\n0.636073 0.935998 0.791859 N\n0.935997 0.636075 0.791859 N\n0.064003 0.363927 0.208142 N\n",
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}