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{
"id": "jvasp-106736",
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"structure_string": "Sr2 Nb1 Ga1 O6\n1.0\n4.880396 0.000000 2.817698\n1.626799 4.601281 2.817698\n0.000000 0.000000 5.635396\nSr Nb Ga O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750001 Sr\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.500001 Ga\n0.748812 0.251189 0.251189 O\n0.251190 0.748811 0.748812 O\n0.251189 0.251189 0.748812 O\n0.748812 0.748811 0.251189 O\n0.251190 0.748811 0.251189 O\n0.748812 0.251189 0.748812 O\n",
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{
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"structure_string": "Cd1 H6 C5 O4\n1.0\n4.066197 -0.096767 0.805809\n1.868403 4.145200 0.179873\n0.151667 -0.041712 8.550413\nCd H C O\n1 6 5 4\ndirect\n0.908491 0.082441 0.768088 Cd\n0.468148 0.709535 0.424053 H\n0.586876 0.340182 0.321686 H\n0.859469 0.890725 0.352138 H\n0.027550 0.105226 0.114645 H\n0.021910 0.544661 0.225417 H\n0.422505 0.992724 0.184300 H\n0.191301 0.427034 0.536183 C\n0.361639 0.546124 0.386625 C\n0.101757 0.715194 0.277464 C\n0.246821 0.895561 0.144172 C\n0.456279 0.709704 0.987279 C\n0.181555 0.527113 0.675264 O\n0.067255 0.215305 0.518795 O\n0.614996 0.408947 0.988214 O\n0.460444 0.872352 0.859340 O\n",
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{
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"updated_at": "2022-09-04T14:36:44.153747Z",
"structure_string": "Li4 Mn4 Co2 O12\n1.0\n4.907749 0.024417 0.000000\n-2.445209 4.255297 -0.000000\n-0.000000 0.000000 9.953150\nLi Mn Co O\n4 4 2 12\ndirect\n0.159068 0.659068 0.750000 Li\n0.340933 0.840934 0.250000 Li\n0.659068 0.159068 0.750000 Li\n0.840933 0.340933 0.250000 Li\n0.163438 0.836563 0.500000 Mn\n0.336563 0.663438 0.000000 Mn\n0.663438 0.336563 0.000000 Mn\n0.836563 0.163438 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.500000 Co\n0.503027 0.162319 0.394287 O\n0.832421 0.832421 0.399562 O\n0.337682 0.996974 0.894287 O\n0.667581 0.667581 0.899562 O\n0.332420 0.332420 0.100438 O\n0.003027 0.662319 0.105713 O\n0.496974 0.837683 0.605713 O\n0.162319 0.503027 0.394287 O\n0.996974 0.337683 0.894287 O\n0.837682 0.496974 0.605713 O\n0.167580 0.167580 0.600438 O\n0.662319 0.003027 0.105713 O\n",
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{
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"updated_at": "2022-09-04T14:36:41.984058Z",
"structure_string": "Ag2 C2 N2 O2\n1.0\n0.000000 3.340491 -0.089683\n6.235377 0.000000 0.000000\n0.000000 -0.201797 -5.779207\nAg C N O\n2 2 2 2\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.708355 0.750000 0.579859 C\n0.291644 0.250000 0.420141 C\n0.147794 0.250000 0.227878 N\n0.852205 0.750000 0.772122 N\n0.435370 0.250000 0.610200 O\n0.564629 0.750000 0.389800 O\n",
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{
"id": "jvasp-104885",
"created_at": "2022-09-04T14:37:02.086466Z",
"updated_at": "2022-09-04T14:37:02.086491Z",
"structure_string": "Ce2 Si2 Ru4 C2\n1.0\n5.940731 0.004331 0.000000\n-4.658418 3.686657 0.000000\n0.000000 0.000000 7.125825\nCe Si Ru C\n2 2 4 2\ndirect\n0.553070 0.446930 0.250000 Ce\n0.446930 0.553070 0.750001 Ce\n0.273313 0.726688 0.250000 Si\n0.726687 0.273313 0.750001 Si\n0.835727 0.164272 0.056408 Ru\n0.164272 0.835728 0.943592 Ru\n0.164272 0.835728 0.556409 Ru\n0.835727 0.164272 0.443592 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:36:59.788946Z",
"updated_at": "2022-09-04T14:36:59.788968Z",
"structure_string": "H4 C7 S1 O2\n1.0\n3.773501 0.015327 0.007613\n0.232312 5.338031 0.004837\n-0.011175 -0.004349 7.541055\nH C S O\n4 7 1 2\ndirect\n0.728083 0.855339 0.405520 H\n0.194408 0.163971 0.741742 H\n0.193928 0.163792 0.405046 H\n0.728545 0.855514 0.739950 H\n0.299804 0.316477 0.481130 C\n0.300054 0.316577 0.665374 C\n0.459425 0.509348 0.391770 C\n0.459896 0.509546 0.754356 C\n0.599614 0.710803 0.480117 C\n0.599870 0.710898 0.665650 C\n0.412613 0.598969 0.073053 C\n0.185929 0.867584 0.073059 S\n0.528527 0.459529 0.212263 O\n0.529513 0.459922 0.933833 O\n",
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"formula_full": "H4 C7 S1 O2",
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{
"id": "jvasp-101941",
"created_at": "2022-09-04T14:36:41.851187Z",
"updated_at": "2022-09-04T14:36:41.851217Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.795290 0.225357 0.301908\n1.106159 4.462977 0.713282\n-0.150046 0.450414 9.430099\nHf H C O\n1 8 6 4\ndirect\n0.039709 0.828442 0.309015 Hf\n0.790853 0.202884 0.917210 H\n0.318279 0.322248 0.881951 H\n0.810209 0.741046 0.853943 H\n0.327179 0.881678 0.856399 H\n0.066097 0.331564 0.673150 H\n0.678801 0.220565 0.647186 H\n0.261407 0.722314 0.635896 H\n0.606277 0.899352 0.603278 H\n0.538183 0.393019 0.922315 C\n0.558828 0.694235 0.827480 C\n0.544521 0.695548 0.665215 C\n0.891348 0.442974 0.455105 C\n0.801031 0.409234 0.616312 C\n0.444394 0.400665 0.079747 C\n0.209888 0.641861 0.113289 O\n-0.016015 0.156516 0.415420 O\n0.591424 0.656079 0.362979 O\n0.580668 0.157847 0.171994 O\n",
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{
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"created_at": "2022-09-04T14:36:43.168782Z",
"updated_at": "2022-09-04T14:36:43.168802Z",
"structure_string": "K2 Li1 Nd1 F6\n1.0\n5.261335 -0.000000 3.037633\n1.753778 4.960434 3.037633\n-0.000000 -0.000000 6.075266\nK Li Nd F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.736913 0.263087 0.263087 F\n0.263087 0.263087 0.736913 F\n0.263087 0.736913 0.736913 F\n0.263087 0.736913 0.263087 F\n0.736913 0.263087 0.736913 F\n0.736913 0.736913 0.263087 F\n",
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],
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{
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"created_at": "2022-09-04T14:37:00.649228Z",
"updated_at": "2022-09-04T14:37:00.649248Z",
"structure_string": "Li4 Fe2 Co4 O12\n1.0\n4.892542 0.018755 0.000000\n2.450078 4.258058 0.000000\n-0.000000 0.000000 9.722407\nLi Fe Co O\n4 2 4 12\ndirect\n0.500000 0.158372 0.750000 Li\n0.500000 0.341627 0.250000 Li\n0.500000 0.658372 0.750000 Li\n0.500000 0.841627 0.250000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.327991 0.336005 0.000000 Co\n0.327991 0.836006 0.500000 Co\n0.672009 0.163994 0.500000 Co\n0.672009 0.663994 0.000000 Co\n0.662840 0.333642 0.896091 O\n0.662840 0.003517 0.103909 O\n0.337160 0.666357 0.103909 O\n0.337160 0.496482 0.603909 O\n0.337160 0.166357 0.396091 O\n0.000000 0.171326 0.600190 O\n0.337160 0.996482 0.896091 O\n0.000000 0.671326 0.899810 O\n0.000000 0.328675 0.100190 O\n0.662840 0.503518 0.396091 O\n0.000000 0.828675 0.399810 O\n0.662840 0.833642 0.603909 O\n",
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{
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"created_at": "2022-09-04T14:36:50.883609Z",
"updated_at": "2022-09-04T14:36:50.883632Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.593207 -0.190341 1.130152\n-0.293051 5.854484 1.670779\n0.014021 -0.034117 7.148473\nMg H C O\n2 4 6 8\ndirect\n0.336093 0.142048 0.596092 Mg\n0.064401 0.212487 0.115880 Mg\n0.455521 0.677339 0.650010 H\n0.298896 0.834765 0.031764 H\n0.792987 0.601517 0.534481 H\n0.622159 0.694397 0.060965 H\n0.425002 0.757558 0.138609 C\n0.669771 0.636879 0.673443 C\n0.527298 0.927327 0.233390 C\n0.246078 0.546713 0.289189 C\n0.626100 0.411232 0.836509 C\n0.829243 0.851262 0.684378 C\n0.392944 0.278036 0.857659 O\n0.802343 0.359402 0.942144 O\n0.319662 0.463387 0.451438 O\n0.722210 0.039826 0.623368 O\n0.792707 0.936918 0.235286 O\n0.068433 0.849416 0.736952 O\n0.342949 0.054889 0.306388 O\n0.040448 0.459840 0.239343 O\n",
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{
"id": "jvasp-101933",
"created_at": "2022-09-04T14:36:59.669833Z",
"updated_at": "2022-09-04T14:36:59.669861Z",
"structure_string": "Mg2 H16 C12 O8\n1.0\n4.826192 -0.043894 -0.266296\n-1.704617 6.232018 -0.317625\n0.069303 0.172566 9.751710\nMg H C O\n2 16 12 8\ndirect\n0.232715 0.262900 0.785632 Mg\n0.732716 0.762900 0.785631 Mg\n0.930419 0.704997 0.340581 H\n0.430420 0.204996 0.340582 H\n0.203790 0.935108 0.392875 H\n0.703791 0.435107 0.392875 H\n0.517377 0.702629 0.479697 H\n0.017378 0.202628 0.479699 H\n0.747331 0.975650 0.427546 H\n0.247329 0.475650 0.427544 H\n0.761637 0.090473 0.178400 H\n0.535014 0.820579 0.230701 H\n0.035016 0.320577 0.230702 H\n0.948054 0.822994 0.091598 H\n0.448056 0.322994 0.091600 H\n0.218142 0.049950 0.143760 H\n0.718144 0.549951 0.143762 H\n0.261637 0.590475 0.178400 H\n0.165295 0.767981 0.354726 C\n0.182812 0.881347 0.108188 C\n0.682813 0.381347 0.108190 C\n0.300133 0.757600 0.216553 C\n0.800135 0.257600 0.216553 C\n0.665297 0.267981 0.354726 C\n0.657839 0.138199 0.603013 C\n0.782625 0.144259 0.463099 C\n0.307577 0.887431 0.968270 C\n0.807579 0.387431 0.968269 C\n0.157841 0.638199 0.603013 C\n0.282623 0.644258 0.463099 C\n0.803808 0.082804 0.703536 O\n0.419754 0.179298 0.615763 O\n0.919753 0.679298 0.615763 O\n0.045645 0.346297 0.955518 O\n0.545647 0.846297 0.955518 O\n0.661655 0.442870 0.867751 O\n0.161655 0.942870 0.867750 O\n0.303809 0.582804 0.703536 O\n",
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{
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"updated_at": "2022-09-04T14:36:44.124213Z",
"structure_string": "Cr2 Sn2 P4 O16\n1.0\n0.000000 4.883401 0.029023\n6.002631 0.000000 0.000000\n0.000000 -0.184910 -9.898561\nCr Sn P O\n2 2 4 16\ndirect\n0.588911 0.250000 0.222085 Cr\n0.411089 0.750000 0.777915 Cr\n0.081450 0.750000 0.277313 Sn\n0.918550 0.250000 0.722687 Sn\n0.622810 0.750000 0.080724 P\n0.155982 0.250000 0.408589 P\n0.844018 0.750000 0.591412 P\n0.377190 0.250000 0.919276 P\n0.232110 0.047289 0.842980 O\n0.232110 0.452711 0.842980 O\n0.692755 0.549565 0.662365 O\n0.692755 0.950435 0.662365 O\n0.150597 0.750000 0.622988 O\n0.211274 0.250000 0.561236 O\n0.788726 0.750000 0.438764 O\n0.767890 0.547289 0.157020 O\n0.307245 0.450435 0.337635 O\n0.307245 0.049565 0.337635 O\n0.687122 0.250000 0.898214 O\n0.767890 0.952711 0.157020 O\n0.312878 0.750000 0.101786 O\n0.323461 0.250000 0.070196 O\n0.849403 0.250000 0.377012 O\n0.676539 0.750000 0.929804 O\n",
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]
}