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{
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{
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{
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"structure_string": "Ca2 Tm4 Ge8 O24\n1.0\n7.097602 -7.119178 0.000000\n7.097602 7.119178 0.000000\n0.000000 0.000000 5.074967\nCa Tm Ge O\n2 4 8 24\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.750000 0.750000 0.500000 Tm\n0.250000 0.250000 0.500000 Tm\n0.749647 0.019431 0.997027 Ge\n0.250353 0.980569 0.002973 Ge\n0.249647 0.519431 0.002973 Ge\n0.750353 0.480569 0.997027 Ge\n0.019431 0.749647 0.002973 Ge\n0.980569 0.250353 0.997027 Ge\n0.519431 0.249647 0.997027 Ge\n0.480569 0.750353 0.002973 Ge\n0.571529 0.677178 0.253495 O\n0.058690 0.328997 0.262573 O\n0.441310 0.171003 0.262573 O\n0.928471 0.822822 0.253495 O\n0.428471 0.322822 0.746505 O\n0.941310 0.671003 0.737427 O\n0.558690 0.828997 0.737427 O\n0.071529 0.177178 0.746505 O\n0.677178 0.571529 0.746505 O\n0.328997 0.058690 0.737427 O\n0.171003 0.441310 0.737427 O\n0.822822 0.928471 0.746505 O\n0.322822 0.428471 0.253495 O\n0.671003 0.941310 0.262573 O\n0.828997 0.558690 0.262573 O\n0.177178 0.071529 0.253495 O\n0.870291 0.129709 0.151265 O\n0.377444 0.877444 0.168759 O\n0.122556 0.622556 0.168759 O\n0.629709 0.370291 0.151265 O\n0.129709 0.870291 0.848735 O\n0.622556 0.122556 0.831241 O\n0.877444 0.377444 0.831241 O\n0.370291 0.629709 0.848735 O\n",
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{
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"created_at": "2022-09-04T14:45:53.246959Z",
"structure_string": "Li4 Mn8 O16\n1.0\n2.933020 -5.080139 0.000000\n2.933020 5.080139 0.000000\n0.000000 0.000000 9.763920\nLi Mn O\n4 8 16\ndirect\n0.333333 0.666667 0.886736 Li\n0.000000 0.000000 0.997357 Li\n0.000000 0.000000 0.497357 Li\n0.666667 0.333333 0.386736 Li\n0.168861 0.831139 0.215308 Mn\n0.333333 0.666667 0.493150 Mn\n0.168861 0.337722 0.215308 Mn\n0.662278 0.831139 0.215308 Mn\n0.337722 0.168861 0.715308 Mn\n0.666667 0.333333 0.993150 Mn\n0.831139 0.662278 0.715308 Mn\n0.831139 0.168861 0.715308 Mn\n0.158076 0.841924 0.606834 O\n0.033615 0.516807 0.329681 O\n0.333333 0.666667 0.109439 O\n0.000000 0.000000 0.311758 O\n0.000000 0.000000 0.811758 O\n0.158076 0.316152 0.606834 O\n0.483193 0.966385 0.329681 O\n0.483193 0.516807 0.329681 O\n0.316152 0.158076 0.106834 O\n0.683848 0.841924 0.606834 O\n0.516807 0.483193 0.829681 O\n0.516807 0.033615 0.829681 O\n0.666667 0.333333 0.609439 O\n0.841924 0.683848 0.106834 O\n0.966385 0.483193 0.829681 O\n0.841924 0.158076 0.106834 O\n",
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:45:53.267124Z",
"structure_string": "Ba2 Sr2 Cu2 C2 O8\n1.0\n6.310883 0.000000 0.000000\n0.939262 6.315429 0.000000\n0.375756 1.582573 6.635128\nBa Sr Cu C O\n2 2 2 2 8\ndirect\n0.983470 0.793855 0.326047 Ba\n0.048699 0.075979 0.768121 Ba\n0.529902 0.539371 0.821922 Sr\n0.439115 0.348565 0.326457 Sr\n0.092711 0.509917 0.881479 Cu\n0.509521 0.907253 0.098173 Cu\n0.389522 0.900844 0.534356 C\n0.481172 0.859286 0.376677 C\n0.165083 0.461360 0.609969 O\n0.278848 0.249799 0.010833 O\n0.849359 0.716992 0.807865 O\n0.756518 0.724696 0.015199 O\n0.771191 0.224763 0.126620 O\n0.245532 0.659652 0.050335 O\n0.841239 0.257705 0.320879 O\n0.427119 0.142962 0.874069 O\n",
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"formula_full": "Ba2 Sr2 Cu2 C2 O8",
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{
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"structure_string": "Sb8 S4 N4 F44\n1.0\n12.051955 0.000000 0.000000\n0.000000 8.309073 0.000000\n0.000000 0.473131 10.466980\nSb S N F\n8 4 4 44\ndirect\n0.222308 0.822165 0.958204 Sb\n0.277692 0.822165 0.458204 Sb\n0.777692 0.177835 0.041796 Sb\n0.550459 0.681186 0.273529 Sb\n0.449541 0.318814 0.726471 Sb\n0.949541 0.681186 0.773529 Sb\n0.050459 0.318814 0.226471 Sb\n0.722308 0.177835 0.541796 Sb\n0.452097 0.207757 0.238746 S\n0.952097 0.792243 0.261254 S\n0.047903 0.207757 0.738746 S\n0.547903 0.792243 0.761254 S\n0.393426 0.248846 0.123083 N\n0.893426 0.751154 0.376917 N\n0.606574 0.751154 0.876917 N\n0.106574 0.248846 0.623083 N\n0.174904 0.928078 0.562091 F\n0.111388 0.711922 0.838391 F\n0.902019 0.131622 0.937534 F\n0.331473 0.769964 0.834035 F\n0.097981 0.868378 0.062466 F\n0.239095 0.616614 0.040089 F\n0.016781 0.632006 0.616652 F\n0.902767 0.727909 0.940297 F\n0.688218 0.985940 0.643394 F\n0.668527 0.230036 0.165965 F\n0.888612 0.288078 0.161609 F\n0.831473 0.230036 0.665965 F\n0.454576 0.093776 0.774112 F\n0.974704 0.460003 0.830629 F\n0.516781 0.367994 0.883348 F\n0.811782 0.985940 0.143394 F\n0.474704 0.539997 0.669371 F\n0.696554 0.648531 0.214108 F\n0.402019 0.868378 0.562466 F\n0.311782 0.014060 0.356606 F\n0.545424 0.906224 0.225888 F\n0.303446 0.351469 0.785892 F\n0.196554 0.351469 0.285892 F\n0.525296 0.460003 0.330629 F\n0.674904 0.071922 0.937909 F\n0.611388 0.288078 0.661609 F\n0.045424 0.093776 0.274112 F\n0.597233 0.727909 0.440297 F\n0.325096 0.928078 0.062091 F\n0.168527 0.769964 0.334035 F\n0.025296 0.539997 0.169371 F\n0.388612 0.711922 0.338391 F\n0.402767 0.272091 0.559703 F\n0.097233 0.272091 0.059703 F\n0.188218 0.014060 0.856606 F\n0.983219 0.367994 0.383348 F\n0.803446 0.648531 0.714108 F\n0.739095 0.383386 0.459911 F\n0.260905 0.616614 0.540089 F\n0.825096 0.071922 0.437909 F\n0.483219 0.632006 0.116652 F\n0.597981 0.131622 0.437534 F\n0.760905 0.383386 0.959911 F\n0.954576 0.906224 0.725888 F\n",
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]
}