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MAPbI3-Cubic.vasp
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MAPbI3-Cubic.vasp
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MA-Pb-I
1.0000000000000000
6.2884187138843197 0.0009579558247489 0.0690993966769832
0.0005978161223733 6.2287690412624563 -0.0003732067435118
0.0697053521696059 0.0000445224912706 6.3737103126460282
C N H Pb I
1 1 6 1 3
Direct
0.3939882648252961 0.4998165502286085 0.4578307086810938
0.6090744378334350 0.5000072812331666 0.5477685929486071
0.4101503344735065 0.4996421926480608 0.2857772518934283
0.3086756133568471 0.6447043733807547 0.5110306384926346
0.3088856672784672 0.3549521469503247 0.5113014134206253
0.6962691547534092 0.6357485658144455 0.5015129819664779
0.6964106005070789 0.3642097749426654 0.5017817996551273
0.6063401459460280 0.5001870434389417 0.7112184893396645
0.9448835519577230 0.9999795897298682 0.9776228940296079
0.9094873486598019 0.9999820990246278 0.4751454839169895
0.8992708791277906 0.4999580210910821 0.0236644354684188
0.4323428768805755 0.9999948727175436 0.9224794036872126
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00