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{
"id": "jvasp-10715",
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"structure_string": "Sr2 Cu1 P2 O8\n1.0\n5.115194 0.000000 0.000000\n-2.557597 5.548845 -1.643199\n0.000000 -0.016327 6.607234\nSr Cu P O\n2 1 2 8\ndirect\n0.170384 0.340768 0.217472 Sr\n0.829614 0.659231 0.782527 Sr\n0.499999 -0.000000 0.500000 Cu\n0.856094 0.712190 0.290030 P\n0.143904 0.287809 0.709969 P\n0.376570 0.263293 0.561412 O\n0.113276 0.736706 0.438586 O\n0.623428 0.736706 0.438586 O\n0.886722 0.263293 0.561412 O\n0.726715 0.453431 0.138516 O\n0.050027 0.100054 0.831138 O\n0.949971 0.899944 0.168861 O\n0.273283 0.546567 0.861483 O\n",
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"structure_string": "Li4 Ca4 Ge8\n1.0\n3.934454 0.000000 0.000000\n0.000000 8.001940 0.000000\n0.000000 0.000000 10.679242\nLi Ca Ge\n4 4 8\ndirect\n0.250000 0.491631 0.110780 Li\n0.250000 0.991631 0.389219 Li\n0.749999 0.508369 0.889219 Li\n0.749999 0.008369 0.610780 Li\n0.749999 0.367605 0.364631 Ca\n0.250000 0.132395 0.864631 Ca\n0.250000 0.632395 0.635368 Ca\n0.749999 0.867605 0.135369 Ca\n0.250000 0.726474 0.937962 Ge\n0.250000 0.659493 0.319338 Ge\n0.749999 0.840507 0.819337 Ge\n0.250000 0.159493 0.180662 Ge\n0.749999 0.273526 0.062038 Ge\n0.250000 0.226474 0.562038 Ge\n0.749999 0.773526 0.437962 Ge\n0.749999 0.340507 0.680662 Ge\n",
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{
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"structure_string": "Be4 Si1 Ni1\n1.0\n3.667144 -0.000000 2.117226\n1.222381 3.457417 2.117226\n-0.000000 -0.000000 4.234453\nBe Si Ni\n4 1 1\ndirect\n0.624427 0.624429 0.126715 Be\n0.624428 0.126714 0.624429 Be\n0.126713 0.624429 0.624429 Be\n0.624427 0.624429 0.624429 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n",
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{
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"structure_string": "Ti4 Co1 S8\n1.0\n5.271495 -0.017884 3.831862\n0.899497 5.194216 3.831862\n-0.040415 -0.033901 8.037264\nTi Co S\n4 1 8\ndirect\n0.260053 0.260055 0.995383 Ti\n0.739946 0.739947 0.004617 Ti\n0.258964 0.741036 0.499999 Ti\n0.741034 0.258966 0.500000 Ti\n0.000000 0.000000 0.000000 Co\n0.962357 0.962359 0.325949 S\n0.037642 0.037643 0.674050 S\n0.449952 0.449954 0.334648 S\n0.550046 0.550048 0.665351 S\n0.042596 0.554722 0.166709 S\n0.554721 0.042596 0.166710 S\n0.957403 0.445280 0.833290 S\n0.445278 0.957405 0.833289 S\n",
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{
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"updated_at": "2022-09-04T14:36:13.359412Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.232058 0.000000 0.000000\n-0.000000 4.555303 0.000000\n0.000000 0.000000 15.005805\nLi Cu P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.249494 Li\n0.000000 0.750000 0.750507 Li\n0.500000 0.750000 0.250507 Li\n0.500000 0.250000 0.749494 Li\n0.000000 0.750000 0.075933 Cu\n0.000000 0.250000 0.924068 Cu\n0.500000 0.250000 0.424067 Cu\n0.500000 0.750000 0.575933 Cu\n0.500000 0.250000 0.114791 P\n0.500000 0.750000 0.885209 P\n0.000000 0.250000 0.614791 P\n0.000000 0.750000 0.385209 P\n0.268901 0.572842 0.944165 O\n0.268901 0.072842 0.055836 O\n0.231100 0.572842 0.444165 O\n0.231100 0.072842 0.555836 O\n0.304117 0.964956 0.825946 O\n0.304117 0.464957 0.174055 O\n0.695884 0.535043 0.825946 O\n0.804117 0.035043 0.674055 O\n0.768901 0.427158 0.555836 O\n0.768901 0.927157 0.444165 O\n0.731100 0.927157 0.944165 O\n0.731100 0.427158 0.055836 O\n0.195884 0.964956 0.325945 O\n0.804117 0.535043 0.325945 O\n0.695884 0.035043 0.174055 O\n0.195884 0.464957 0.674055 O\n",
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{
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"created_at": "2022-09-04T14:38:40.777512Z",
"updated_at": "2022-09-04T14:38:40.777537Z",
"structure_string": "Li1 Co1 F4\n1.0\n3.057100 -0.096223 -0.090677\n0.301824 4.497217 0.018371\n0.298884 0.194337 4.493182\nLi Co F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.499998 0.500001 0.499999 Co\n0.976503 0.309084 0.309391 F\n0.500032 0.790635 0.208999 F\n0.499964 0.209368 0.791000 F\n0.023493 0.690918 0.690608 F\n",
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},
{
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"created_at": "2022-09-04T14:38:34.203815Z",
"updated_at": "2022-09-04T14:38:34.203841Z",
"structure_string": "Cu4 P16 Se16 I4\n1.0\n9.513112 -0.127664 -0.000000\n-2.050875 9.290291 0.000000\n-0.000000 0.000000 12.503787\nCu P Se I\n4 16 16 4\ndirect\n0.904991 0.095009 0.500000 Cu\n0.595009 0.404991 0.000000 Cu\n0.404991 0.595009 0.000000 Cu\n0.095008 0.904991 0.500000 Cu\n0.755783 0.540382 0.259888 P\n0.255784 0.040382 0.240113 P\n0.540382 0.755784 0.259888 P\n0.244216 0.459617 0.740113 P\n0.716152 0.353295 0.145840 P\n0.459617 0.244217 0.740113 P\n0.959617 0.744217 0.759888 P\n0.146705 0.783848 0.645840 P\n0.646706 0.283848 0.854160 P\n0.744216 0.959618 0.759888 P\n0.783848 0.146706 0.645840 P\n0.040382 0.255784 0.240113 P\n0.216152 0.853294 0.354160 P\n0.853294 0.216153 0.354160 P\n0.353294 0.716152 0.145840 P\n0.283847 0.646706 0.854160 P\n0.850752 0.446571 0.407281 Se\n0.553429 0.149248 0.592719 Se\n0.350752 0.946571 0.092719 Se\n0.016576 0.016576 0.190972 Se\n0.149248 0.553429 0.592719 Se\n0.946570 0.350752 0.092719 Se\n0.446570 0.850752 0.407281 Se\n0.983423 0.983424 0.809028 Se\n0.516576 0.516576 0.309028 Se\n0.349444 0.849445 0.750000 Se\n0.053429 0.649248 0.907281 Se\n0.649248 0.053430 0.907281 Se\n0.483423 0.483424 0.690972 Se\n0.650555 0.150556 0.250000 Se\n0.849444 0.349445 0.750000 Se\n0.150555 0.650555 0.250000 Se\n0.310623 0.310623 0.015165 I\n0.810623 0.810623 0.484835 I\n0.189377 0.189377 0.515166 I\n0.689377 0.689377 0.984835 I\n",
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{
"id": "jvasp-115928",
"created_at": "2022-09-04T14:38:40.260279Z",
"updated_at": "2022-09-04T14:38:40.260310Z",
"structure_string": "Li1 Co1 F4\n1.0\n3.264061 -3.103698 0.167897\n3.264061 3.103698 0.167897\n-0.306929 0.000000 3.044636\nLi Co F\n1 1 4\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Co\n0.290841 0.709160 0.000001 F\n0.809239 0.809239 0.523434 F\n0.190762 0.190762 0.476568 F\n0.709160 0.290841 0.000001 F\n",
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{
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"structure_string": "Ba2 Mg1 B6 O12\n1.0\n3.562082 2.056467 5.527140\n-3.562000 2.056470 5.527084\n0.000044 -4.113222 5.527218\nBa Mg B O\n2 1 6 12\ndirect\n0.212853 0.212854 0.212851 Ba\n0.787147 0.787147 0.787147 Ba\n0.000000 0.000000 0.000000 Mg\n0.363369 0.644964 0.756828 B\n0.644963 0.756830 0.363368 B\n0.756828 0.363371 0.644963 B\n0.636631 0.355037 0.243171 B\n0.355036 0.243171 0.636631 B\n0.243171 0.636630 0.355036 B\n0.464647 0.572827 0.196407 O\n0.803591 0.535353 0.427173 O\n0.427171 0.803592 0.535350 O\n0.535353 0.427174 0.803592 O\n0.312082 0.084251 0.841886 O\n0.158115 0.687915 0.915749 O\n0.084250 0.841886 0.312082 O\n0.687917 0.915750 0.158113 O\n0.572828 0.196409 0.464649 O\n0.915750 0.158115 0.687917 O\n0.841885 0.312086 0.084250 O\n0.196409 0.464648 0.572826 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:38:08.609594Z",
"updated_at": "2022-09-04T14:38:08.609610Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.062212 0.002584\n5.613154 0.000000 0.000000\n0.000000 -5.057194 -6.232339\nLi Co Ge O\n2 2 2 8\ndirect\n0.747093 0.662771 0.751242 Li\n0.747092 0.337228 0.251242 Li\n0.992354 0.176765 0.997268 Co\n0.992353 0.823234 0.497268 Co\n0.500689 0.841695 0.000819 Ge\n0.500690 0.158305 0.500819 Ge\n0.832341 0.867215 0.980534 O\n0.383749 0.134837 0.021856 O\n0.139277 0.703658 0.761521 O\n0.659453 0.328279 0.736467 O\n0.383750 0.865163 0.521856 O\n0.832341 0.132784 0.480534 O\n0.139277 0.296341 0.261521 O\n0.659453 0.671720 0.236466 O\n",
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]
}