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POSCAR_PBEsol.vasp
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POSCAR_PBEsol.vasp
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MAPSI
1.00000000000000
18.2681050588009093 0.0000000000000000 0.0000000000000000
0.0000000000000000 6.2301869955433391 0.0000000000000000
0.0000000000000000 0.0000000000000000 6.4747802124733358
Pb I S C N H
2 4 4 8 8 24
Direct
0.5000000000000000 0.4016710292748889 0.2175993953079480
-0.0000000000000000 0.5983290007251206 0.7175994243079469
0.5000000000000000 0.8953417224418497 0.2935407574885707
-0.0000000000000000 0.1046582775581503 0.7935407574885707
0.5000000000000000 0.3471438665398605 0.7313185515188614
-0.0000000000000000 0.6528561634601348 0.2313185215188590
0.3394260415881790 0.3440101574385144 0.2335432065608126
0.1605739584118139 0.6559898125614830 0.7335431915608077
0.8394260115881838 0.6559898125614830 0.7335431915608077
0.6605739884118162 0.3440101574385144 0.2335432065608126
0.3108900109742841 0.5871615859305894 0.2775357776559093
0.1891099890257159 0.4128384140694106 0.7775357776559093
0.8108900409742794 0.4128384140694106 0.7775357776559093
0.6891099590257206 0.5871615859305894 0.2775357776559093
0.3587419414278319 0.8505580200868852 0.8032016698423201
0.1412580585721682 0.1494419649131170 0.3032016698423202
0.8587419414278389 0.1494419649131170 0.3032016698423202
0.6412580585721611 0.8505580200868852 0.8032016698423201
0.2887770972155415 0.7634365033184370 0.3086400643438990
0.2112229027844585 0.2365634966815629 0.8086400943439014
0.7887771272155369 0.2365634966815629 0.8086400943439014
0.7112228727844631 0.7634365033184370 0.3086400643438990
0.3330750135036787 0.0110549476280458 0.6519046362772791
0.1669249864963212 0.9889450563719546 0.1519046362772792
0.8330750135036786 0.9889450563719546 0.1519046362772792
0.6669249864963214 0.0110549476280458 0.6519046362772791
0.2876149986644325 0.0986125244754277 0.7093302772898779
0.2123850013355676 0.9013875055245747 0.2093302772898778
0.7876149686644299 0.9013875055245747 0.2093302772898778
0.7123850313355701 0.0986125244754277 0.7093302772898779
0.3169036502564676 0.9336748663812210 0.5135819485972117
0.1830963497435325 0.0663251296187786 0.0135819485972118
0.8169036502564606 0.0663251296187786 0.0135819485972118
0.6830963497435394 0.9336748663812210 0.5135819485972117
0.3744706082965611 0.1193965652344135 0.6174691899366231
0.1255293917034388 0.8806034427655871 0.1174691899366232
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0.6255294217034412 0.1193965652344135 0.6174691899366231
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0.1227622868415250 0.0686952393589458 0.4448594643557654
0.8772376831584725 0.0686952393589458 0.4448594643557654
0.6227623168415275 0.9313047826410560 0.9448594643557653
0.4045367175823877 0.7591075131336528 0.7364547470150892
0.0954632824176123 0.2408924718663424 0.2364547470150892
0.9045367475823831 0.2408924718663424 0.2364547470150892
0.5954632524176169 0.7591075131336528 0.7364547470150892
0.3132829437599617 0.7411957337350673 0.8394247244675362
0.1867170562400382 0.2588042812649305 0.3394247244675362
0.8132829437599618 0.2588042812649305 0.3394247244675362
0.6867170562400382 0.7411957337350673 0.8394247244675362