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{
"id": "jvasp-30522",
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"structure_string": "Mg2 Ti8 O18\n1.0\n4.738585 -0.000000 0.000000\n0.000000 7.753473 0.000000\n0.000000 -0.000000 7.753473\nMg Ti O\n2 8 18\ndirect\n0.280110 0.250000 0.250000 Mg\n0.719890 0.750000 0.749999 Mg\n0.275215 0.638547 0.058234 Ti\n0.724785 0.138549 0.558235 Ti\n0.724785 0.941766 0.138548 Ti\n0.275215 0.441766 0.638547 Ti\n0.724785 0.361451 0.941766 Ti\n0.275215 0.861451 0.441766 Ti\n0.724785 0.558235 0.361452 Ti\n0.275215 0.058234 0.861451 Ti\n0.078266 0.209336 0.508241 O\n0.431144 0.853187 0.954354 O\n0.431144 0.545645 0.853187 O\n0.568854 0.454354 0.146813 O\n0.568854 0.353187 0.454354 O\n0.568854 0.146812 0.045646 O\n0.568854 0.045645 0.353187 O\n0.078266 -0.008242 0.209336 O\n-0.078265 0.491758 0.709336 O\n0.078266 0.290664 -0.008242 O\n-0.078265 0.790664 0.491757 O\n-0.078265 0.008242 0.790664 O\n0.431144 0.646812 0.545645 O\n-0.078265 0.709337 0.008242 O\n0.499998 0.250001 0.750000 O\n0.499998 0.750000 0.250000 O\n0.078266 0.508241 0.290664 O\n0.431144 0.954353 0.646812 O\n",
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{
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{
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"structure_string": "Be2 Tc1 Rh1\n1.0\n-1.641576 1.641576 4.220528\n1.641576 -1.641576 4.220528\n1.641576 1.641576 -4.220528\nBe Tc Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Tc\n0.500000 0.500000 0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:03.297166Z",
"updated_at": "2022-09-04T14:38:03.297186Z",
"structure_string": "Li4 Ti2 P2 C2 O14\n1.0\n0.000000 4.958226 0.021139\n6.398555 0.000000 0.000000\n0.000000 -0.540810 -8.566765\nLi Ti P C O\n4 2 2 2 14\ndirect\n0.771835 0.007120 0.211046 Li\n0.228166 0.992879 0.788954 Li\n0.228166 0.507120 0.788954 Li\n0.771835 0.492879 0.211046 Li\n0.788953 0.749999 0.654111 Ti\n0.211047 0.250000 0.345889 Ti\n0.718756 0.250000 0.584470 P\n0.281245 0.749999 0.415530 P\n0.728786 0.749999 0.944653 C\n0.271214 0.250000 0.055348 C\n0.302622 0.250000 0.910444 O\n0.697378 0.749999 0.089556 O\n0.404864 0.250000 0.566282 O\n0.824315 0.056536 0.676726 O\n0.824315 0.443463 0.676726 O\n0.825364 0.250000 0.418619 O\n0.966481 0.749999 0.886217 O\n0.175686 0.556536 0.323274 O\n0.175686 0.943463 0.323274 O\n0.476804 0.250000 0.161873 O\n0.595137 0.749999 0.433718 O\n0.523197 0.749999 0.838128 O\n0.174637 0.749999 0.581381 O\n0.033519 0.250000 0.113783 O\n",
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{
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"structure_string": "Ba6 Mn2 N6\n1.0\n4.070851 -7.050921 0.000000\n4.070851 7.050920 0.000000\n0.000000 0.000000 5.553331\nBa Mn N\n6 2 6\ndirect\n0.911630 0.637916 0.750000 Ba\n0.273714 0.911630 0.250000 Ba\n0.637916 0.726286 0.250000 Ba\n0.362083 0.273714 0.750000 Ba\n0.726286 0.088370 0.750000 Ba\n0.088370 0.362083 0.250000 Ba\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.317151 0.869784 0.750000 N\n0.447367 0.317151 0.250000 N\n0.869784 0.552633 0.250000 N\n0.130215 0.447367 0.750000 N\n0.552633 0.682849 0.750000 N\n0.682849 0.130215 0.250000 N\n",
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{
"id": "jvasp-42284",
"created_at": "2022-09-04T14:37:28.365366Z",
"updated_at": "2022-09-04T14:37:28.365386Z",
"structure_string": "Fe8 O14 F2\n1.0\n0.000000 5.207752 0.044892\n4.372075 0.000000 0.000000\n0.000000 -1.020160 -9.575327\nFe O F\n8 14 2\ndirect\n0.236894 0.748660 0.250834 Fe\n0.764993 0.772663 0.755270 Fe\n0.495780 0.763193 0.990813 Fe\n0.001422 0.747447 0.503272 Fe\n0.236894 0.251341 0.750835 Fe\n0.495780 0.236808 0.490813 Fe\n0.764993 0.227338 0.255269 Fe\n0.001422 0.252554 0.003272 Fe\n0.773290 0.435530 0.422638 O\n0.272363 0.447843 0.924516 O\n0.023809 0.437309 0.176787 O\n0.023809 0.562692 0.676787 O\n0.272363 0.552158 0.424516 O\n0.773290 0.564471 0.922639 O\n0.978034 0.934562 0.327509 O\n0.978034 0.065439 0.827510 O\n0.726662 0.943426 0.575642 O\n0.472688 0.951765 0.822629 O\n0.726662 0.056575 0.075642 O\n0.472687 0.048236 0.322629 O\n0.226107 0.059756 0.575621 O\n0.226107 0.940245 0.075620 O\n0.527958 0.550282 0.174471 F\n0.527958 0.449719 0.674471 F\n",
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{
"id": "jvasp-36363",
"created_at": "2022-09-04T14:37:14.824781Z",
"updated_at": "2022-09-04T14:37:14.824800Z",
"structure_string": "Pd1 N1\n1.0\n2.771111 -0.000000 0.000000\n0.000000 2.771111 -0.000000\n-0.000000 -0.000000 2.771111\nPd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n",
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{
"id": "jvasp-44145",
"created_at": "2022-09-04T14:38:29.259191Z",
"updated_at": "2022-09-04T14:38:29.259212Z",
"structure_string": "Fe4 O7 F1\n1.0\n4.362445 -0.060214 0.000000\n-0.060214 4.362445 -0.000000\n0.000000 -0.000000 5.728831\nFe O F\n4 7 1\ndirect\n0.008308 0.991692 0.010525 Fe\n0.008308 0.991692 0.489475 Fe\n0.508178 0.491821 0.250000 Fe\n0.478811 0.521189 0.750000 Fe\n0.198284 0.801716 0.250000 O\n0.191580 0.808420 0.750000 O\n0.304043 0.304568 0.998714 O\n0.304043 0.304568 0.501286 O\n0.695432 0.695957 0.998714 O\n0.695432 0.695957 0.501286 O\n0.807001 0.192999 0.250000 O\n0.800578 0.199422 0.750000 F\n",
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{
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"created_at": "2022-09-04T14:38:42.478076Z",
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"structure_string": "Ti1 Ni3 P4 O16\n1.0\n5.691368 0.000000 0.000000\n0.000000 4.714317 0.058114\n0.000000 -0.074741 9.679656\nTi Ni P O\n1 3 4 16\ndirect\n0.500000 0.942894 0.728319 Ti\n0.000000 0.062471 0.271267 Ni\n0.000000 0.436997 0.774472 Ni\n0.500000 0.566702 0.228747 Ni\n0.500000 0.113014 0.403765 P\n0.500000 0.370843 0.917981 P\n0.000000 0.614226 0.091830 P\n0.000000 0.901067 0.584855 P\n0.787531 0.752151 0.664530 O\n0.500000 0.791253 0.388910 O\n0.500000 0.685921 0.880005 O\n0.211591 0.771646 0.165621 O\n0.788409 0.771646 0.165621 O\n0.000000 0.674293 0.937005 O\n0.500000 0.320890 0.071818 O\n0.000000 0.219056 0.606614 O\n0.292545 0.216718 0.839803 O\n0.000000 0.291357 0.111076 O\n0.212469 0.752151 0.664530 O\n0.712718 0.270450 0.334348 O\n0.287282 0.270450 0.334348 O\n0.500000 0.164578 0.562220 O\n0.707455 0.216718 0.839803 O\n0.000000 0.822517 0.432508 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:35:56.559870Z",
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"structure_string": "Fe4 P2 O10\n1.0\n5.016003 -0.005432 1.976345\n-0.773586 4.955994 1.976345\n0.003186 0.003718 7.345691\nFe P O\n4 2 10\ndirect\n0.000000 0.000000 0.500000 Fe\n0.499999 0.500000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.374978 0.125023 0.749999 P\n0.625022 0.874977 0.249999 P\n0.318614 0.806815 0.386359 O\n0.693185 0.181386 0.113639 O\n0.306815 0.818614 0.886360 O\n0.874970 0.625030 0.749999 O\n0.795154 0.806845 0.386285 O\n0.306846 0.295155 0.886285 O\n0.204845 0.193155 0.613714 O\n0.693154 0.704845 0.113713 O\n0.681385 0.193186 0.613639 O\n0.125030 0.374970 0.250000 O\n",
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}