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{
"id": "jvasp-98620",
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"structure_string": "Ba4 H8 C8 O16\n1.0\n8.860846 0.000000 0.000000\n0.000000 7.638982 0.000000\n0.000000 0.000000 6.832715\nBa H C O\n4 8 8 16\ndirect\n0.911403 0.538255 0.327706 Ba\n0.588598 0.461744 0.827706 Ba\n0.411403 0.961744 0.672295 Ba\n0.088598 0.038256 0.172295 Ba\n0.446709 0.699226 0.250777 H\n0.053292 0.300774 0.750777 H\n0.946709 0.800774 0.749224 H\n0.553292 0.199226 0.249223 H\n0.738280 0.045594 0.986282 H\n0.761720 0.954406 0.486281 H\n0.238280 0.454406 0.013719 H\n0.261720 0.545594 0.513719 H\n0.264813 0.400705 0.496085 C\n0.235187 0.599295 -0.003915 C\n0.735187 0.900705 0.003915 C\n0.764814 0.099295 0.503916 C\n0.040971 0.871474 0.677809 C\n0.959029 0.371474 0.822192 C\n0.540971 0.628526 0.322192 C\n0.459029 0.128526 0.177808 C\n0.860189 0.182332 0.402417 O\n0.639811 0.817668 0.902417 O\n0.170477 0.334481 0.377116 O\n0.329523 0.665519 0.877116 O\n0.670477 0.165519 0.622885 O\n0.829524 0.834481 0.122884 O\n0.394012 0.007691 0.273225 O\n0.894012 0.492308 0.726775 O\n0.605989 0.507691 0.226775 O\n0.421732 0.176812 0.005705 O\n0.078268 0.823188 0.505705 O\n0.921732 0.323188 0.994296 O\n0.578269 0.676812 0.494296 O\n0.139811 0.682332 0.097584 O\n0.105989 0.992308 0.773226 O\n0.360189 0.317668 0.597584 O\n",
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{
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"structure_string": "Ti1 H20 C11 O4\n1.0\n4.729766 -0.240666 1.099100\n0.080969 6.353156 1.544591\n-0.251441 -0.335518 10.077601\nTi H C O\n1 20 11 4\ndirect\n0.279233 0.299300 0.822441 Ti\n0.289633 0.357248 0.142082 H\n0.563342 0.221820 0.213009 H\n0.304927 0.893318 0.919762 H\n0.382095 0.518432 0.321775 H\n0.232117 0.711257 0.758859 H\n0.983982 0.643726 0.172403 H\n-0.091173 0.405985 0.293731 H\n0.918682 0.607601 0.724029 H\n0.024953 0.677889 0.412321 H\n0.491657 0.696088 0.163284 H\n0.254277 0.590732 0.611165 H\n0.882094 0.994916 0.264062 H\n0.528851 0.903822 0.307182 H\n-0.050377 0.955187 0.990325 H\n0.503392 0.920327 0.555040 H\n0.554291 0.163964 0.441359 H\n0.234759 0.022838 0.064073 H\n0.067479 0.165445 0.449355 H\n0.026144 0.917596 0.559456 H\n0.672028 0.592833 0.475840 H\n0.509026 0.369467 0.151219 C\n0.544194 0.547581 0.225712 C\n0.831624 0.564484 0.263747 C\n0.817934 0.679057 0.383588 C\n0.722080 0.904657 0.348568 C\n0.688190 0.385618 0.008278 C\n0.912691 0.060319 0.527878 C\n0.836371 0.160364 0.652750 C\n0.144084 0.587866 0.718770 C\n0.170550 0.007456 0.967888 C\n0.657342 0.015357 0.470978 C\n0.581250 0.219938 0.682369 O\n0.551854 0.397729 0.908164 O\n0.017660 0.179126 0.722552 O\n0.950740 0.378812 -0.010906 O\n",
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{
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"created_at": "2022-09-04T14:38:33.974086Z",
"updated_at": "2022-09-04T14:38:33.974115Z",
"structure_string": "Ti20 Si16\n1.0\n6.730288 0.000000 -0.000000\n0.000000 6.730288 0.000000\n-0.000000 -0.000000 12.216544\nTi Si\n20 16\ndirect\n0.995433 0.149672 0.621631 Ti\n0.829530 0.829530 0.500000 Ti\n0.670471 0.329530 0.750000 Ti\n0.170470 0.170470 0.000000 Ti\n0.655217 0.996896 0.281401 Ti\n0.344784 0.003104 0.781401 Ti\n0.996896 0.655217 0.718599 Ti\n0.496896 0.844784 0.031401 Ti\n0.503104 0.155217 0.531401 Ti\n0.844784 0.496896 0.968599 Ti\n0.329530 0.670471 0.250000 Ti\n0.003104 0.344784 0.218599 Ti\n0.850328 0.004567 0.878369 Ti\n0.149672 0.995433 0.378369 Ti\n0.004567 0.850328 0.121631 Ti\n0.504567 0.649672 0.628369 Ti\n0.495433 0.350328 0.128369 Ti\n0.649672 0.504567 0.371631 Ti\n0.350328 0.495433 0.871631 Ti\n0.155217 0.503104 0.468599 Ti\n0.705427 0.642006 0.171435 Si\n0.205427 0.857994 0.578564 Si\n0.794573 0.142006 0.078565 Si\n0.857994 0.205427 0.421435 Si\n0.142006 0.794573 0.921435 Si\n0.294573 0.357994 0.671435 Si\n0.698470 0.956569 0.686470 Si\n0.543431 0.198470 0.936470 Si\n0.956569 0.698470 0.313529 Si\n0.456569 0.801530 0.436470 Si\n0.801530 0.456569 0.563529 Si\n0.198470 0.543431 0.063529 Si\n0.043431 0.301530 0.813529 Si\n0.357994 0.294573 0.328565 Si\n0.301530 0.043431 0.186470 Si\n0.642006 0.705427 0.828564 Si\n",
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{
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"created_at": "2022-09-04T14:38:35.921408Z",
"updated_at": "2022-09-04T14:38:35.921429Z",
"structure_string": "Nb1 W11 Se24\n1.0\n0.336788 5.784147 0.000000\n0.000000 0.000000 -13.131049\n-10.019936 0.583428 0.000000\nNb W Se\n1 11 24\ndirect\n0.664538 0.250000 0.000020 Nb\n0.833455 0.750000 0.499980 W\n0.668629 0.250000 0.664948 W\n0.833458 0.750000 0.833356 W\n0.164434 0.250000 0.831477 W\n0.333506 0.750000 0.999980 W\n0.164434 0.250000 0.168564 W\n0.333379 0.750000 0.333315 W\n0.168273 0.250000 0.500021 W\n0.333379 0.750000 0.666645 W\n0.668629 0.250000 0.335093 W\n0.833458 0.750000 0.166604 W\n0.324266 0.121700 0.000020 Se\n0.335238 0.377291 0.666268 Se\n0.166796 0.877572 0.499980 Se\n0.166796 0.622428 0.499980 Se\n0.335238 0.122709 0.666268 Se\n0.335238 0.377291 0.333773 Se\n0.166778 0.877566 0.166628 Se\n0.166778 0.622434 0.166628 Se\n0.335238 0.122709 0.333773 Se\n0.324266 0.378300 0.000020 Se\n0.834607 0.121198 0.170383 Se\n0.666767 0.622346 0.999980 Se\n0.666767 0.877654 0.999980 Se\n0.834607 0.378802 0.170383 Se\n0.835572 0.122171 0.500020 Se\n0.666787 0.622474 0.333291 Se\n0.666787 0.877527 0.333291 Se\n0.166778 0.877566 0.833331 Se\n0.834607 0.121198 0.829658 Se\n0.666788 0.622474 0.666668 Se\n0.666788 0.877527 0.666668 Se\n0.834607 0.378802 0.829658 Se\n0.166778 0.622434 0.833331 Se\n0.835572 0.377829 0.500021 Se\n",
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{
"id": "jvasp-21541",
"created_at": "2022-09-04T14:38:36.080647Z",
"updated_at": "2022-09-04T14:38:36.080675Z",
"structure_string": "Ba5 Mg18 Si13\n1.0\n7.286059 -12.619825 0.000000\n7.286059 12.619825 0.000000\n0.000000 0.000000 4.502571\nBa Mg Si\n5 18 13\ndirect\n0.180048 0.000000 0.500000 Ba\n0.819952 0.819952 0.500000 Ba\n0.000000 0.180048 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.195325 0.373020 0.000000 Mg\n0.557823 0.000000 0.000000 Mg\n0.442177 0.442177 0.000000 Mg\n0.000000 0.557823 0.000000 Mg\n0.122209 0.483514 0.500000 Mg\n0.516487 0.638695 0.500000 Mg\n0.638695 0.516487 0.500000 Mg\n0.877792 0.361305 0.500000 Mg\n0.361305 0.877792 0.500000 Mg\n0.721902 0.000000 0.500000 Mg\n0.278098 0.278098 0.500000 Mg\n0.000000 0.721902 0.500000 Mg\n0.177694 0.804675 0.000000 Mg\n0.804675 0.177694 0.000000 Mg\n0.822306 0.626980 0.000000 Mg\n0.373020 0.195325 0.000000 Mg\n0.626980 0.822306 0.000000 Mg\n0.483514 0.122209 0.500000 Mg\n0.629285 0.629285 0.000000 Si\n0.000000 0.370715 0.000000 Si\n0.832692 0.000000 0.000000 Si\n0.167307 0.167307 0.000000 Si\n0.000000 0.832692 0.000000 Si\n0.833271 0.524866 0.500000 Si\n0.524866 0.833271 0.500000 Si\n0.308405 0.475134 0.500000 Si\n0.475134 0.308405 0.500000 Si\n0.166730 0.691595 0.500000 Si\n0.370715 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.691595 0.166730 0.500000 Si\n",
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"structure_string": "Tb8 Ti12 Si16\n1.0\n7.087031 0.000000 0.000000\n-0.000000 7.087031 0.000000\n-0.000000 0.000000 13.019942\nTb Ti Si\n8 12 16\ndirect\n0.339840 0.002125 0.466951 Tb\n0.497875 0.839840 0.716951 Tb\n0.502125 0.160159 0.216951 Tb\n0.839840 0.497875 0.283049 Tb\n0.160159 0.502125 0.783049 Tb\n0.660159 0.997875 0.966951 Tb\n0.002125 0.339840 0.533049 Tb\n0.997875 0.660159 0.033049 Tb\n0.992092 0.846259 0.623628 Ti\n0.007908 0.153741 0.123628 Ti\n0.346259 0.507908 0.373628 Ti\n0.653741 0.492092 0.873628 Ti\n0.507908 0.346259 0.626372 Ti\n0.846259 0.992092 0.376372 Ti\n0.153741 0.007908 0.876372 Ti\n0.672301 0.672301 0.500000 Ti\n0.827699 0.172301 0.750000 Ti\n0.172301 0.827699 0.250000 Ti\n0.327699 0.327699 0.000000 Ti\n0.492092 0.653741 0.126372 Ti\n0.709614 0.045230 0.565112 Si\n0.209614 0.454770 0.184888 Si\n0.790386 0.545230 0.684888 Si\n0.454770 0.209614 0.815112 Si\n0.545230 0.790386 0.315112 Si\n0.290386 0.954770 0.065112 Si\n0.870821 0.798234 0.815851 Si\n0.298234 0.629178 0.565851 Si\n0.798234 0.870821 0.184149 Si\n0.701766 0.370821 0.065851 Si\n0.629178 0.298234 0.434149 Si\n0.370821 0.701766 0.934149 Si\n0.201766 0.129179 0.684149 Si\n0.954770 0.290386 0.934887 Si\n0.129179 0.201766 0.315851 Si\n0.045230 0.709614 0.434888 Si\n",
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{
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{
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