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"id": "jvasp-17357",
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{
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"structure_string": "Cr4 O1 F11\n1.0\n4.862703 -0.002951 -0.002100\n-0.077099 5.236602 -0.087826\n-0.008532 -0.594874 7.178268\nCr O F\n4 1 11\ndirect\n0.501981 0.499825 0.499468 Cr\n0.481818 0.486662 0.001541 Cr\n0.001506 0.000068 0.499440 Cr\n0.011979 0.016371 0.002231 Cr\n0.185573 0.313316 0.066082 O\n0.142610 0.995287 0.749331 F\n0.178694 0.677795 0.430684 F\n0.326429 0.175585 0.427293 F\n0.314374 0.815229 0.069201 F\n0.360122 0.496615 0.748881 F\n0.637740 0.501931 0.249067 F\n0.684309 0.182035 0.927306 F\n0.677510 0.823716 0.571729 F\n0.824842 0.322229 0.568982 F\n0.807789 0.690179 0.938680 F\n0.862722 0.003162 0.250086 F\n",
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{
"id": "jvasp-119047",
"created_at": "2022-09-04T14:38:50.893507Z",
"updated_at": "2022-09-04T14:38:50.893540Z",
"structure_string": "Mg8 Si4 Se16\n1.0\n6.288293 -0.000000 0.000000\n0.000000 7.840880 0.000000\n-0.000000 -0.000000 13.425355\nMg Si Se\n8 4 16\ndirect\n-0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.493358 0.750000 0.231000 Mg\n0.006642 0.750000 0.730999 Mg\n0.506642 0.250000 0.769000 Mg\n0.993357 0.250000 0.269000 Mg\n0.405799 0.250000 0.088770 Si\n0.094200 0.250000 0.588770 Si\n0.594200 0.750000 0.911229 Si\n0.905799 0.750000 0.411230 Si\n0.247194 0.019465 0.168017 Se\n0.252806 0.480535 0.668016 Se\n0.247194 0.480535 0.168017 Se\n0.252806 0.019465 0.668016 Se\n0.752806 0.980535 0.831983 Se\n0.747194 0.519465 0.331983 Se\n0.255222 0.250000 0.930927 Se\n0.232143 0.750000 0.907424 Se\n0.744777 0.750000 0.069073 Se\n0.755222 0.750000 0.569073 Se\n0.767857 0.250000 0.092576 Se\n0.732143 0.250000 0.592576 Se\n0.747194 0.980535 0.331983 Se\n0.267857 0.750000 0.407424 Se\n0.244777 0.250000 0.430927 Se\n0.752806 0.519465 0.831983 Se\n",
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{
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"created_at": "2022-09-04T14:36:57.258406Z",
"updated_at": "2022-09-04T14:36:57.258442Z",
"structure_string": "Si2 P4 Rh1\n1.0\n4.676137 0.007574 1.568001\n-1.125470 4.538682 1.568001\n0.006551 0.008388 5.624445\nSi P Rh\n2 4 1\ndirect\n0.589130 0.589129 0.136247 Si\n0.410871 0.410870 0.863752 Si\n0.161121 0.710145 0.345076 P\n0.289854 0.838879 0.654923 P\n0.710146 0.161120 0.345076 P\n0.838879 0.289854 0.654923 P\n0.000000 0.000000 0.000000 Rh\n",
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"created_at": "2022-09-04T14:37:06.053872Z",
"updated_at": "2022-09-04T14:37:06.053895Z",
"structure_string": "Y2 Si2 O7\n1.0\n4.733562 -0.001066 -0.590446\n-0.895956 5.418376 -1.477386\n-0.003493 0.000031 5.687196\nY Si O\n2 2 7\ndirect\n0.000000 0.306199 0.693801 Y\n-0.000000 0.693801 0.306199 Y\n0.413166 0.218763 0.218763 Si\n0.586833 0.781236 0.781236 Si\n0.777637 0.913588 0.613799 O\n0.222362 0.386200 0.086411 O\n0.222362 0.086412 0.386200 O\n0.777637 0.613799 0.913588 O\n0.500000 -0.000000 -0.000000 O\n0.284382 0.618920 0.618920 O\n0.715617 0.381080 0.381079 O\n",
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"created_at": "2022-09-04T14:38:49.521403Z",
"updated_at": "2022-09-04T14:38:49.521429Z",
"structure_string": "Ba1 Sr1 S2\n1.0\n4.416504 0.000000 0.000000\n0.000000 4.416504 0.000000\n-0.000000 0.000000 6.247580\nBa Sr S\n1 1 2\ndirect\n0.000000 0.000000 0.250032 Ba\n0.500000 0.500000 0.750004 Sr\n0.000000 0.000000 0.750017 S\n0.500000 0.500000 0.249947 S\n",
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{
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"created_at": "2022-09-04T14:35:58.103670Z",
"updated_at": "2022-09-04T14:35:58.103690Z",
"structure_string": "Na2 Ni2 P2 O8\n1.0\n2.655590 4.182965 -0.000000\n-2.655590 4.182965 -0.000000\n0.000000 -0.000000 6.702768\nNa Ni P O\n2 2 2 8\ndirect\n0.312594 0.312594 0.750000 Na\n0.687407 0.687407 0.250000 Na\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.337514 0.337514 0.250000 P\n0.662487 0.662487 0.750000 P\n0.209647 0.689332 0.250000 O\n0.310669 0.790354 0.750000 O\n0.232765 0.232765 0.436521 O\n0.767236 0.767236 0.563480 O\n0.232765 0.232765 0.063479 O\n0.767236 0.767236 0.936521 O\n0.790354 0.310669 0.750000 O\n0.689332 0.209647 0.250000 O\n",
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{
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"structure_string": "Cd1 Ga2 S4\n1.0\n5.045958 -0.000000 -2.378139\n-1.120806 4.919907 -2.378139\n-0.026683 -0.033446 6.485734\nCd Ga S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.865850 0.870777 0.275273 S\n0.595502 0.134149 0.724726 S\n0.129224 0.590576 0.724726 S\n0.409424 0.404499 0.275274 S\n",
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{
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"structure_string": "Ca1 Co1 O3\n1.0\n3.393348 0.756612 0.448832\n0.920504 3.352603 0.448832\n0.804447 0.766287 5.968458\nCa Co O\n1 1 3\ndirect\n0.276758 0.276759 0.067339 Ca\n0.808225 0.808222 0.554606 Co\n0.878669 0.878667 0.249798 O\n0.681833 0.681833 0.857958 O\n0.115021 0.115021 0.544602 O\n",
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{
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"structure_string": "Ti2 Se4 O12\n1.0\n0.000000 4.777029 -0.094528\n8.375137 0.000000 0.000000\n0.000000 -2.410280 -6.310055\nTi Se O\n2 4 12\ndirect\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.126514 0.641391 0.828462 Se\n0.873487 0.141391 0.671539 Se\n0.873487 0.358609 0.171539 Se\n0.126514 0.858610 0.328462 Se\n0.239756 0.838607 0.830429 O\n0.760245 0.338607 0.669573 O\n0.760244 0.161393 0.169572 O\n0.239756 0.661393 0.330428 O\n0.394110 0.547179 0.753560 O\n0.829839 0.843263 0.095060 O\n0.170161 0.343263 0.404941 O\n0.605891 0.452822 0.246441 O\n0.829839 0.656737 0.595060 O\n0.170162 0.156737 0.904941 O\n0.605891 0.047179 0.746441 O\n0.394110 0.952822 0.253560 O\n",
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}
]
}