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{
"id": "jvasp-4322",
"created_at": "2022-09-04T14:38:30.516508Z",
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"structure_string": "Pu2 Ge4\n1.0\n3.849355 0.000000 -1.096049\n-0.312085 3.836683 -1.096049\n0.376905 0.408808 8.631245\nPu Ge\n2 4\ndirect\n0.625001 0.875000 0.750000 Pu\n0.375000 0.125000 0.250000 Pu\n0.204255 0.454253 0.908506 Ge\n0.954254 0.704253 0.408506 Ge\n0.045748 0.295747 0.591493 Ge\n0.795747 0.545746 0.091493 Ge\n",
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{
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"structure_string": "Ca2 Pb2\n1.0\n4.563205 0.000000 0.000000\n0.000000 5.065384 0.000000\n0.000000 0.000000 5.065384\nCa Pb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500001 0.000000 0.500000 Pb\n0.500001 0.500000 0.000000 Pb\n",
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{
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"structure_string": "K2 Ag2 Br6\n1.0\n6.490062 -0.059417 3.537791\n2.073834 6.150093 3.537791\n-0.083544 -0.059417 7.391204\nK Ag Br\n2 2 6\ndirect\n0.255551 0.255550 0.255551 K\n0.755551 0.755550 0.755551 K\n0.005749 0.005749 0.005749 Ag\n0.505749 0.505748 0.505748 Ag\n0.255712 0.819125 0.692363 Br\n0.819125 0.692363 0.255712 Br\n0.692364 0.255711 0.819125 Br\n0.192364 0.319125 0.755711 Br\n0.755712 0.192363 0.319126 Br\n0.319125 0.755711 0.192364 Br\n",
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{
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"structure_string": "Ho2 Fe4\n1.0\n4.393612 0.000000 2.536653\n1.464537 4.142337 2.536653\n0.000000 0.000000 5.073307\nHo Fe\n2 4\ndirect\n0.875000 0.875001 0.874999 Ho\n0.125000 0.125000 0.125000 Ho\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000001 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 6,
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"elements": [
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{
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"created_at": "2022-09-04T14:38:30.531715Z",
"updated_at": "2022-09-04T14:38:30.531747Z",
"structure_string": "Tb1 Se1\n1.0\n3.536372 -0.000000 2.041726\n1.178791 3.334124 2.041726\n-0.000000 -0.000000 4.083451\nTb Se\n1 1\ndirect\n0.500000 0.499999 0.500001 Tb\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-17381",
"created_at": "2022-09-04T14:38:30.533661Z",
"updated_at": "2022-09-04T14:38:30.533680Z",
"structure_string": "Ca1 Ge2 Ir2\n1.0\n3.931461 0.000000 -1.466686\n-0.547168 3.893199 -1.466686\n-0.002036 -0.002342 5.997039\nCa Ge Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.375821 0.375823 0.751644 Ge\n0.624177 0.624178 0.248355 Ge\n0.749999 0.250000 0.499999 Ir\n0.249999 0.750000 0.499999 Ir\n",
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{
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"created_at": "2022-09-04T14:38:30.537449Z",
"updated_at": "2022-09-04T14:38:30.537474Z",
"structure_string": "Ho2 Cu4 O8\n1.0\n5.063689 0.105223 -2.510216\n-1.362948 4.859609 -2.545226\n-0.052979 -0.025373 6.256472\nHo Cu O\n2 4 8\ndirect\n0.874998 0.124998 0.749994 Ho\n0.125002 0.875003 0.250004 Ho\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000001 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.499999 Cu\n0.721586 0.529961 0.855203 O\n0.133616 0.825244 0.855203 O\n0.278413 0.470039 0.144795 O\n0.866383 0.174756 0.144795 O\n0.529991 0.133625 0.355198 O\n0.825208 0.721574 0.355197 O\n0.174792 0.278426 0.644801 O\n0.470008 0.866375 0.644800 O\n",
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{
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"created_at": "2022-09-04T14:38:30.537722Z",
"updated_at": "2022-09-04T14:38:30.537742Z",
"structure_string": "Nb1 I1 O2\n1.0\n3.090040 0.000000 0.000000\n0.000000 3.090040 0.000000\n0.000000 -0.000000 8.097909\nNb I O\n1 1 2\ndirect\n0.499999 0.499999 0.429553 Nb\n0.000000 0.000000 0.890607 I\n0.000000 0.000000 0.472776 O\n0.499999 0.499999 0.217064 O\n",
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"spacegroup": 99
},
{
"id": "jvasp-26785",
"created_at": "2022-09-04T14:38:30.538067Z",
"updated_at": "2022-09-04T14:38:30.538092Z",
"structure_string": "Na6 Ti3 F18\n1.0\n5.078973 0.000088 -0.000000\n0.000004 8.015890 -4.628229\n-0.000000 -0.000000 9.256459\nNa Ti F\n6 3 18\ndirect\n-0.000008 0.627933 0.001471 Na\n0.000007 0.372067 0.373538 Na\n0.499993 0.292448 0.001448 Na\n0.500000 0.000000 0.293912 Na\n0.500006 0.707552 0.709000 Na\n0.000000 0.000000 0.629377 Na\n0.498797 0.333340 0.668133 Ti\n0.000000 0.000000 0.001462 Ti\n0.501201 0.666659 0.334793 Ti\n0.711299 0.225180 0.753979 F\n0.714043 0.859362 0.410583 F\n0.714059 0.549757 0.142098 F\n0.288700 0.774820 0.528799 F\n0.285910 0.409119 0.860817 F\n0.714088 0.590882 0.451698 F\n0.787778 0.889913 0.084735 F\n0.212221 0.110087 0.194822 F\n0.285956 0.140639 0.551222 F\n0.212223 0.083282 0.891384 F\n0.212263 0.806643 0.918198 F\n0.288690 0.752511 0.226642 F\n0.711308 0.247489 0.474131 F\n0.285939 0.450244 0.592341 F\n0.787736 0.193358 0.111556 F\n0.288737 0.472641 0.248952 F\n0.787776 0.916718 0.808102 F\n0.711262 0.527359 0.776311 F\n",
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{
"id": "jvasp-25907",
"created_at": "2022-09-04T14:38:30.538405Z",
"updated_at": "2022-09-04T14:38:30.538434Z",
"structure_string": "Mn6 F18\n1.0\n5.172652 0.000000 0.000000\n-2.586326 4.479155 0.001138\n0.000000 -0.001441 13.433134\nMn F\n6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666652 0.333330 0.333329 Mn\n0.333322 0.666671 0.166671 Mn\n0.333348 0.666671 0.666671 Mn\n0.666677 0.333330 0.833329 Mn\n0.333376 0.263072 0.416681 F\n0.070304 0.736929 0.083319 F\n0.666624 0.736929 0.583319 F\n0.929696 0.263072 0.916680 F\n0.666732 0.929778 0.083357 F\n0.736956 0.070224 0.416643 F\n0.333268 0.070224 0.916643 F\n0.263044 0.929778 0.583357 F\n-0.000101 0.403535 0.249976 F\n0.403635 0.403535 0.749976 F\n0.403465 0.000000 0.250000 F\n0.596364 0.596466 0.250024 F\n0.263161 0.333377 0.083330 F\n0.929785 0.666624 0.416670 F\n0.736838 0.666624 0.916670 F\n0.070215 0.333377 0.583329 F\n0.000100 0.596466 0.750024 F\n0.596535 0.000000 0.750000 F\n",
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{
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{
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