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{
"id": "jvasp-119725",
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"structure_string": "Li7 Fe1 O5 F1\n1.0\n4.761097 -0.015977 -2.463770\n-2.759799 4.663778 -0.045167\n0.071315 0.050203 5.659814\nLi Fe O F\n7 1 5 1\ndirect\n0.525223 0.117854 0.177102 Li\n0.896726 0.768268 0.387252 Li\n0.737243 0.486312 0.686735 Li\n0.195802 0.470001 0.319421 Li\n0.129697 0.222806 0.658560 Li\n0.441182 0.931738 0.643073 Li\n0.308271 0.639868 0.970251 Li\n0.943125 0.952849 0.990227 Fe\n0.875709 0.074566 0.252772 O\n0.890199 0.231184 0.817358 O\n0.494785 0.614743 0.752452 O\n0.177795 0.809074 0.246406 O\n0.133554 0.896918 0.789890 O\n0.530382 0.441705 0.293659 F\n",
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{
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"structure_string": "Li14 V2 O10 F2\n1.0\n5.498529 -0.014894 0.012804\n2.705614 4.794354 0.006311\n0.262444 0.077571 10.615456\nLi V O F\n14 2 10 2\ndirect\n0.362847 0.984192 0.756893 Li\n0.368118 0.026849 0.128300 Li\n0.612666 0.384244 0.128123 Li\n0.313163 0.345221 0.933908 Li\n0.345465 0.312874 0.409043 Li\n0.007574 0.349610 0.257984 Li\n0.268708 0.686378 0.266156 Li\n0.702554 0.001075 0.261071 Li\n0.706976 0.290544 0.768847 Li\n0.955231 0.727805 0.758427 Li\n0.668905 0.648877 0.908179 Li\n0.652811 0.669915 0.433139 Li\n0.394241 0.626764 0.630799 Li\n0.996356 0.384907 0.626605 Li\n0.002137 0.985353 0.996236 V\n0.988121 -0.001315 0.496890 V\n0.001372 0.030581 0.169278 O\n0.681815 0.298313 0.952083 O\n0.317048 -0.006576 0.948165 O\n0.357406 0.320191 0.220438 O\n0.987918 0.316405 0.447516 O\n0.302509 0.679986 0.452968 O\n0.679253 0.634684 0.719426 O\n0.697658 0.985674 0.438448 O\n0.032470 -0.000332 0.669668 O\n0.989929 0.694943 0.937053 O\n0.634885 0.681013 0.216892 F\n0.319493 0.355589 0.717221 F\n",
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{
"id": "jvasp-34471",
"created_at": "2022-09-04T14:37:07.710970Z",
"updated_at": "2022-09-04T14:37:07.710979Z",
"structure_string": "Sr2 Cu2 H12 O10\n1.0\n0.000000 5.381226 0.028770\n6.236875 0.000000 0.000000\n0.000000 -2.439372 -7.563556\nSr Cu H O\n2 2 12 10\ndirect\n0.000001 0.453929 0.750000 Sr\n0.000000 0.546072 0.250000 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.628584 0.046098 0.607394 H\n0.628583 0.953903 0.107394 H\n0.651942 0.268956 0.964087 H\n0.348059 0.731044 0.035913 H\n0.432563 0.288293 0.143754 H\n0.371418 0.953903 0.392607 H\n0.567439 0.288293 0.356246 H\n0.651942 0.731044 0.464087 H\n0.432563 0.711708 0.643755 H\n0.567439 0.711708 0.856246 H\n0.371418 0.046098 0.892607 H\n0.348060 0.268956 0.535914 H\n0.157268 0.280349 0.505551 O\n0.714393 0.844697 0.056704 O\n0.500001 0.383052 0.250000 O\n0.842733 0.280349 0.994450 O\n0.842733 0.719652 0.494450 O\n0.157268 0.719652 0.005550 O\n0.285608 0.844697 0.443296 O\n0.500001 0.616949 0.750000 O\n0.285608 0.155304 0.943297 O\n0.714393 0.155304 0.556704 O\n",
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{
"id": "jvasp-119370",
"created_at": "2022-09-04T14:38:50.849778Z",
"updated_at": "2022-09-04T14:38:50.849795Z",
"structure_string": "Li6 Fe1 O5 F1\n1.0\n4.851018 0.072286 2.462453\n1.641138 4.595434 2.560919\n0.062437 0.023195 5.507949\nLi Fe O F\n6 1 5 1\ndirect\n0.697950 0.468582 0.057573 Li\n0.510341 0.084408 0.747200 Li\n0.915229 0.306630 0.509301 Li\n0.076841 0.707923 0.473258 Li\n0.516932 0.916965 0.268979 Li\n0.261191 0.487367 0.926265 Li\n0.034169 0.987248 0.961490 Fe\n0.356705 0.807757 0.089567 O\n0.920421 0.666598 0.209074 O\n0.208105 0.888689 0.646965 O\n0.102192 0.340355 0.789372 O\n0.657216 0.210940 0.917975 O\n0.777713 0.126905 0.385410 F\n",
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{
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"structure_string": "Li6 P1 S5 I1\n1.0\n5.115172 5.115172 0.000000\n5.115172 -0.000000 -5.115172\n-0.000000 5.115172 -5.115172\nLi P S I\n6 1 5 1\ndirect\n0.023528 0.476472 0.023528 Li\n0.476472 0.023528 0.476472 Li\n0.023528 0.476472 0.476472 Li\n0.476472 0.023528 0.023528 Li\n0.023528 0.023528 0.476472 Li\n0.476472 0.476472 0.023528 Li\n0.500000 0.500000 0.500000 P\n0.616329 0.616329 0.151010 S\n0.616329 0.151010 0.616329 S\n0.151010 0.616329 0.616329 S\n0.616329 0.616329 0.616329 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 I\n",
"nsites": 13,
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{
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"created_at": "2022-09-04T14:38:01.669860Z",
"updated_at": "2022-09-04T14:38:01.669892Z",
"structure_string": "Li6 P1 S5 Cl1\n1.0\n5.082268 5.082268 -0.000000\n5.082268 0.000000 -5.082268\n-0.000000 5.082268 -5.082268\nLi P S Cl\n6 1 5 1\ndirect\n0.023173 0.476827 0.023173 Li\n0.476827 0.023173 0.476827 Li\n0.023173 0.476827 0.476827 Li\n0.476827 0.023173 0.023173 Li\n0.023173 0.023173 0.476827 Li\n0.476827 0.476827 0.023173 Li\n0.500000 0.500000 0.500000 P\n0.616944 0.616944 0.149168 S\n0.616944 0.149168 0.616944 S\n0.149168 0.616944 0.616944 S\n0.616944 0.616944 0.616944 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-121966",
"created_at": "2022-09-04T14:38:54.130825Z",
"updated_at": "2022-09-04T14:38:54.130862Z",
"structure_string": "Li6 P1 Br1 O5\n1.0\n5.082062 -0.000000 2.934130\n1.694021 4.791414 2.934130\n-0.000000 -0.000000 5.868260\nLi P Br O\n6 1 1 5\ndirect\n0.983193 0.516807 0.983193 Li\n0.516807 0.983192 0.983193 Li\n0.516807 0.516807 0.983193 Li\n0.516807 0.983192 0.516808 Li\n0.983193 0.983192 0.516808 Li\n0.983193 0.516807 0.516808 Li\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Br\n0.824854 0.391715 0.391716 O\n0.391716 0.824854 0.391716 O\n0.391715 0.391715 0.391716 O\n0.391715 0.391715 0.824855 O\n0.750000 0.749999 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:35:47.341901Z",
"updated_at": "2022-09-04T14:35:47.341926Z",
"structure_string": "Li6 Fe1 O5 F1\n1.0\n5.452032 0.120005 0.049819\n2.638528 4.872090 0.006254\n2.520553 1.636130 4.636001\nLi Fe O F\n6 1 5 1\ndirect\n0.692207 0.465525 0.055338 Li\n0.511787 0.086030 0.748709 Li\n0.914002 0.306352 0.508378 Li\n0.077555 0.706013 0.472231 Li\n0.518247 0.914641 0.267575 Li\n0.256520 0.487509 0.925841 Li\n0.036104 0.987569 0.961646 Fe\n0.359425 0.808626 0.089285 O\n0.923783 0.667347 0.211840 O\n0.209506 0.888687 0.647624 O\n0.101488 0.341098 0.789952 O\n0.656160 0.211697 0.918607 O\n0.778215 0.129264 0.385406 F\n",
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{
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"structure_string": "Ca2 As2 H10 O12\n1.0\n6.219237 -0.000000 0.039075\n-3.109618 8.637894 -0.019538\n-2.706029 0.000000 5.291554\nCa As H O\n2 2 10 12\ndirect\n0.224396 0.684516 0.222449 Ca\n0.539880 0.315483 0.722449 Ca\n0.509321 0.624744 0.909596 As\n0.884577 0.375255 0.409596 As\n0.923902 0.868399 0.230212 H\n0.237039 0.284184 0.221050 H\n0.702252 0.650996 0.323257 H\n0.221440 0.787363 0.710293 H\n0.051254 0.349003 0.823258 H\n0.055503 0.131601 0.730212 H\n0.434078 0.212636 0.210293 H\n0.173130 0.009525 0.266395 H\n-0.047145 0.715815 0.721050 H\n0.163604 -0.009525 0.766394 H\n0.896680 0.266170 0.697393 O\n0.775451 0.509605 0.460753 O\n0.323594 0.205069 0.297907 O\n0.630510 0.733830 0.197393 O\n0.437374 0.748530 0.663487 O\n0.188764 0.439878 0.438651 O\n0.265847 0.490395 0.960753 O\n0.097062 0.895331 0.243409 O\n0.118524 0.794930 0.797906 O\n0.748885 0.560121 0.938650 O\n0.201731 0.104668 0.743408 O\n0.688845 0.251470 0.163487 O\n",
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{
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"created_at": "2022-09-04T14:38:06.297332Z",
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"structure_string": "Li6 P1 S5 Br1\n1.0\n5.092644 5.092644 -0.000000\n5.092644 -0.000000 -5.092644\n-0.000000 5.092644 -5.092644\nLi P S Br\n6 1 5 1\ndirect\n0.023282 0.476718 0.023282 Li\n0.476718 0.023282 0.476718 Li\n0.023282 0.476718 0.476718 Li\n0.476718 0.023282 0.023282 Li\n0.023282 0.023282 0.476718 Li\n0.476718 0.476718 0.023282 Li\n0.500000 0.500000 0.500000 P\n0.616754 0.616754 0.149735 S\n0.616754 0.149735 0.616754 S\n0.149735 0.616754 0.616754 S\n0.616754 0.616754 0.616754 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:41.429359Z",
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"structure_string": "Al1 H8 C5 Cl1 O5\n1.0\n5.254432 -0.126352 0.507822\n1.429944 5.227233 0.911337\n-0.281040 -0.172319 7.178374\nAl H C Cl O\n1 8 5 1 5\ndirect\n0.179051 0.679716 0.395673 Al\n0.568277 0.210868 0.601001 H\n0.757903 0.915518 0.696508 H\n0.466526 0.885905 0.966474 H\n0.201514 0.108920 0.852321 H\n0.459203 0.446566 0.848193 H\n0.682051 0.237797 0.001625 H\n0.742661 0.954463 0.302948 H\n0.975797 0.109464 0.222570 H\n0.554057 0.028992 0.679238 C\n0.413671 0.063479 0.870677 C\n0.291073 0.376209 0.110822 C\n0.425581 0.901756 0.555088 C\n0.479541 0.280233 0.955866 C\n0.945423 0.433678 0.542956 Cl\n0.271493 0.760981 0.623369 O\n0.378703 0.506352 0.223618 O\n0.063219 0.348767 0.123360 O\n0.455462 0.920566 0.375616 O\n0.936125 0.942845 0.279771 O\n",
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{
"id": "jvasp-48543",
"created_at": "2022-09-04T14:36:49.916220Z",
"updated_at": "2022-09-04T14:36:49.916240Z",
"structure_string": "Li1 Co5 O5 F1\n1.0\n1.584950 -2.745212 0.000000\n1.584950 2.745212 -0.000000\n0.000000 -0.000000 15.570112\nLi Co O F\n1 5 5 1\ndirect\n0.333333 0.666667 0.998919 Li\n0.333333 0.666667 0.666589 Co\n0.333333 0.666667 0.328011 Co\n0.666667 0.333333 0.497831 Co\n0.666667 0.333333 0.835708 Co\n0.666667 0.333333 0.172508 Co\n0.333333 0.666667 0.541156 O\n0.333333 0.666667 0.874905 O\n0.333333 0.666667 0.200311 O\n0.666667 0.333333 0.709456 O\n0.666667 0.333333 0.372831 O\n0.666667 0.333333 0.035770 F\n",
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}
]
}