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{
"id": "jvasp-58595",
"created_at": "2022-09-04T14:37:29.474571Z",
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"structure_string": "Mg2 Ni4 O8\n1.0\n5.790305 -0.073922 0.031583\n2.831135 5.051512 0.031583\n2.899600 1.674085 4.735027\nMg Ni O\n2 4 8\ndirect\n0.124999 0.625000 0.625000 Mg\n0.625000 0.125001 0.625000 Mg\n0.997689 0.997689 0.002310 Ni\n0.252311 0.252312 0.247689 Ni\n0.625000 0.625000 0.124999 Ni\n0.625000 0.625001 0.625000 Ni\n0.389357 0.389358 0.373532 O\n0.405912 0.854459 0.369814 O\n0.389357 0.389358 0.847753 O\n0.854459 0.405913 0.369814 O\n0.395541 0.844088 0.880185 O\n0.844088 0.395542 0.880185 O\n0.860643 0.860643 0.402246 O\n0.860643 0.860644 0.876467 O\n",
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{
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"structure_string": "Ca2 Ni4 O8\n1.0\n6.180154 -0.100053 -0.070748\n3.003429 5.202091 0.000000\n3.003429 1.734031 4.904577\nCa Ni O\n2 4 8\ndirect\n0.965022 0.011660 0.011659 Ca\n0.132261 0.622579 0.622579 Ca\n0.272740 0.242420 0.242420 Ni\n0.619288 0.120525 0.630094 Ni\n0.619288 0.630094 0.120525 Ni\n0.619288 0.630094 0.630094 Ni\n0.435263 0.362060 0.362060 O\n0.435263 0.362059 0.840618 O\n0.435263 0.840618 0.362060 O\n0.900447 0.366518 0.366517 O\n0.402235 0.865922 0.865922 O\n0.804547 0.443887 0.875783 O\n0.804547 0.875783 0.443887 O\n0.804547 0.875783 0.875783 O\n",
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{
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"structure_string": "Sr4 Fe2 S2 O6\n1.0\n3.971774 0.000000 0.000000\n0.000000 3.971774 0.000000\n0.000000 -0.000000 13.475236\nSr Fe S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.860608 Sr\n0.500000 0.000000 0.139393 Sr\n0.000000 0.500000 0.600394 Sr\n0.500000 0.000000 0.399606 Sr\n0.500000 0.000000 0.724800 Fe\n0.000000 0.500000 0.275200 Fe\n0.500000 0.000000 0.905177 S\n0.000000 0.500000 0.094823 S\n0.500000 0.500000 0.727263 O\n0.000000 0.000000 0.727263 O\n0.000000 0.000000 0.272737 O\n0.500000 0.500000 0.272737 O\n0.500000 0.000000 0.583545 O\n0.000000 0.500000 0.416455 O\n",
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"volume": 212.571695725184,
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{
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"created_at": "2022-09-04T14:37:29.493706Z",
"updated_at": "2022-09-04T14:37:29.493724Z",
"structure_string": "Cu2 Rh4 Se8\n1.0\n6.361031 -0.000000 3.672543\n2.120344 5.997238 3.672543\n0.000000 0.000000 7.345086\nCu Rh Se\n2 4 8\ndirect\n0.874999 0.875000 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 -0.000000 Rh\n0.259298 0.259298 0.722107 Se\n0.740701 0.740702 0.740702 Se\n0.740701 0.740702 0.277893 Se\n0.259298 0.722107 0.259298 Se\n0.259298 0.259298 0.259298 Se\n0.277893 0.740702 0.740702 Se\n0.740701 0.277894 0.740702 Se\n0.722106 0.259298 0.259298 Se\n",
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{
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"created_at": "2022-09-04T14:37:28.589641Z",
"updated_at": "2022-09-04T14:37:28.589659Z",
"structure_string": "Y2 Co4 O8\n1.0\n5.002899 0.104473 -2.478788\n-1.345943 4.800947 -2.514521\n-0.032436 0.003638 6.225131\nY Co O\n2 4 8\ndirect\n0.874999 0.124999 0.749997 Y\n0.125001 0.875002 0.250002 Y\n0.500000 -0.000000 -0.000000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500001 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.713865 0.526507 0.850315 O\n0.136450 0.823810 0.850316 O\n0.286135 0.473493 0.149684 O\n0.863550 0.176190 0.149684 O\n0.526494 0.136432 0.350311 O\n0.823818 0.713879 0.350312 O\n0.176182 0.286121 0.649688 O\n0.473506 0.863569 0.649688 O\n",
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{
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"created_at": "2022-09-04T14:37:28.417454Z",
"updated_at": "2022-09-04T14:37:28.417482Z",
"structure_string": "Ca2 Cr4 S8\n1.0\n7.235300 0.006755 0.002746\n-3.611563 -6.289318 0.003932\n-3.617131 1.933112 -5.981513\nCa Cr S\n2 4 8\ndirect\n-0.000006 -0.000009 0.000011 Ca\n0.500009 0.500005 0.499996 Ca\n0.000008 0.000006 0.500012 Cr\n0.500010 0.000006 0.000005 Cr\n0.499997 0.999995 0.499999 Cr\n0.000001 0.499998 0.500012 Cr\n0.026775 0.762189 0.291363 S\n0.029580 0.759412 0.740608 S\n0.473215 0.208644 0.737802 S\n0.529565 0.240583 0.259409 S\n0.526799 0.791366 0.262200 S\n0.970440 0.240601 0.259418 S\n0.470431 0.759408 0.740590 S\n0.973217 0.237801 0.708655 S\n",
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{
"id": "jvasp-59898",
"created_at": "2022-09-04T14:37:15.793172Z",
"updated_at": "2022-09-04T14:37:15.793196Z",
"structure_string": "Al2 Fe4 S8\n1.0\n6.837279 -0.024346 -0.046675\n-0.253183 6.832703 0.044616\n-3.294719 -3.400048 4.933359\nAl Fe S\n2 4 8\ndirect\n0.007490 0.027654 0.020147 Al\n0.007505 0.487385 0.479892 Al\n0.979156 -0.009755 0.488875 Fe\n0.510513 -0.041457 0.448011 Fe\n0.501389 -0.009720 0.011116 Fe\n0.510504 0.562449 0.051942 Fe\n0.752815 0.775335 0.022528 S\n0.769886 0.748910 0.520981 S\n0.752796 0.230268 0.477459 S\n0.738053 0.237862 0.000276 S\n0.252205 0.786856 0.534673 S\n0.237572 0.237802 0.499762 S\n0.227938 0.748937 -0.020992 S\n0.252152 0.217479 -0.034706 S\n",
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{
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"created_at": "2022-09-04T14:37:15.625402Z",
"updated_at": "2022-09-04T14:37:15.625425Z",
"structure_string": "Li2 V2 P2 O8\n1.0\n4.662748 -0.000000 -0.000000\n-2.331374 1.346020 8.133496\n2.331374 -4.038058 -0.000000\nLi V P O\n2 2 2 8\ndirect\n0.002234 0.006701 0.002234 Li\n0.573270 0.719810 0.573270 Li\n0.122687 0.368061 0.122687 V\n0.452818 0.358453 0.452818 V\n0.709323 0.127971 0.709324 P\n0.866180 0.598541 0.866181 P\n0.163044 0.530047 0.535759 O\n0.039744 0.196466 0.744259 O\n0.412462 0.196466 0.039745 O\n0.647995 0.943983 0.647995 O\n0.831246 0.530047 0.163044 O\n0.535758 0.530047 0.831245 O\n0.744259 0.196466 0.412462 O\n0.927510 0.782530 0.927511 O\n",
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{
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"created_at": "2022-09-04T14:37:28.218171Z",
"updated_at": "2022-09-04T14:37:28.218192Z",
"structure_string": "Ba1 Mg1 Fe4 O8\n1.0\n2.684903 -4.650388 0.000000\n2.684903 4.650388 0.000000\n-0.000000 0.000000 7.264838\nBa Mg Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333332 0.666667 0.740733 Fe\n0.666667 0.333332 0.740733 Fe\n0.333332 0.666667 0.259267 Fe\n0.666667 0.333332 0.259267 Fe\n0.313865 0.313865 0.676108 O\n0.686135 -0.000000 0.676108 O\n-0.000000 0.686135 0.676108 O\n0.686134 0.686134 0.323892 O\n-0.000000 0.313865 0.323892 O\n0.313865 -0.000000 0.323892 O\n0.333332 0.666667 0.000000 O\n0.666667 0.333332 0.000000 O\n",
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"structure_string": "K1 Li6 Ir1 O6\n1.0\n5.190485 0.017253 -1.045276\n-1.280055 5.030198 -1.045276\n0.013366 0.017253 5.294672\nK Li Ir O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.339573 -0.000001 0.660427 Li\n0.000001 0.660427 0.339572 Li\n0.339573 0.660427 -0.000001 Li\n0.000001 0.339573 0.660427 Li\n0.660427 -0.000001 0.339572 Li\n0.660427 0.339573 -0.000001 Li\n0.000000 0.000000 0.000000 Ir\n0.724536 0.081440 0.724536 O\n0.724537 0.724537 0.081439 O\n0.275464 0.918560 0.275462 O\n0.275464 0.275463 0.918559 O\n0.918559 0.275463 0.275462 O\n0.081442 0.724537 0.724536 O\n",
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"structure_string": "Mg2 Mo4 O8\n1.0\n6.357110 -0.287164 -0.203055\n2.929865 5.074674 -0.000000\n2.929865 1.691558 4.784447\nMg Mo O\n2 4 8\ndirect\n0.986584 0.004473 0.004471 Mg\n0.149550 0.616816 0.616817 Mg\n0.198765 0.267078 0.267078 Mo\n0.621969 0.081053 0.648488 Mo\n0.621970 0.648489 0.081051 Mo\n0.621969 0.648489 0.648488 Mo\n0.401969 0.371346 0.371345 O\n0.401969 0.371346 0.855338 O\n0.401969 0.855338 0.371345 O\n0.818279 0.393907 0.393906 O\n0.351264 0.882911 0.882912 O\n0.891244 0.401090 0.853833 O\n0.891245 0.853833 0.401089 O\n0.891244 0.853834 0.853833 O\n",
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{
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"created_at": "2022-09-04T14:37:28.772913Z",
"updated_at": "2022-09-04T14:37:28.772932Z",
"structure_string": "Zn2 Co4 S8\n1.0\n5.900019 -0.000062 3.406273\n1.966621 5.562580 3.406261\n-0.000070 -0.000063 6.812666\nZn Co S\n2 4 8\ndirect\n0.874985 0.875015 0.875015 Zn\n0.125016 0.124985 0.124985 Zn\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n0.500000 1.000000 0.500000 Co\n0.734695 0.734696 0.734696 S\n0.265304 0.265307 0.704083 S\n0.265304 0.704083 0.265307 S\n0.704110 0.265297 0.265296 S\n0.734697 0.295917 0.734693 S\n0.295890 0.734703 0.734703 S\n0.265304 0.265305 0.265304 S\n0.734696 0.734692 0.295917 S\n",
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}