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MAPbI3-Tetragonal.vasp
executable file
·105 lines (104 loc) · 5.49 KB
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MAPbI3-Tetragonal.vasp
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SHIFTEED
1.0000000000000000
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0.0034346340595614 8.7152426648018118 0.0293320154438477
0.0526615745378272 0.0405064020621351 12.8345718822440436
C N H Pb I
4 4 24 4 12
Direct
0.7788893372942738 0.2483164505039426 0.2500114675455336
0.2813222562698101 0.7949989765061787 0.2496747825210264
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0.9591452145275312 0.0753465056678380 0.4967110351407769
0.2739615008176912 0.2825139543071629 0.2398916076284721
0.2827144668769463 0.2738800832621848 0.7398738271249599
0.7556348060737648 0.7728086970403112 0.7417021525252707
0.7727361801299821 0.7558556434784478 0.2417098872626084
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