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vestaÖ§³ÖµÄÊäÈë¸ñʽ£º VESTA format (*.vesta) VICS format (*.vcs) American Mineralogist Crystal Structure Database (*.amc) asse (*.asse) Chem3D CIF (Crystallographic Information File) CrystalMaker text file (*.cmt) CSSR (Crystal Structure Search and Retrieval) CSD/FDAT DL_POLY CONFIG FEFF input file (feff.inp) FHI-AIMS input file (*.in) GEOMETRY.OUT output by the Elk FP-LAPW Code GSAS format (*.EXP) ICSD (Inorganic Crystal Structure Database) ICSD-CRYSTIN MDL Molfile MINCRYST (Crystallographic Database for Minerals) MOLDA PDB (Protein Data Bank) Input files of RIETAN-FP (*.ins) Output files of RIETAN-FP (*.lst) Input file of SHELXL (*.ins, *.res) Output files of STRUCTURE TIDY (*.sto) Structure data files output by USPEX. WIEN2k (*.struct) XMol XYZ (*.xyz) F01 for SCAT and C04D for contrd MXDORTO/MXDTRICL FILE06.DAT, FILE07.DAT XTL file (*.xtl) |

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Volumetric data£º PRIMA binary format (*.pri; *.prim) MEED/PRIMA text data (*.den) Energy Band (*.eb) General volumetric-data (text format) (*.?ed) Periodic volumetric-data (text format) (*.grd) General volumetric-data (binary format) (*.ggrid) Periodic volumetric-data (binary format) (*.pgrid) Compressed volumetric-data format (*.m3d) SCAT volumetric-data files (*.sca, *.scat) WIEN2k (*.rho) obtained with wien2venus.py WinGX 3D Fourier (*.fou) X-PLOR/CNX (*.xplor) |

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Structure & volumetric data£º CASTEP (*.cell, *.charg_frm) GAMESS input and 3D surface data files output by MacMolPlt Gaussian Cube format VASP XCrySDen XSF format È«²¿Ö§³ÖµÄ¸ñʽ£¬ºÃÏñûÓÐMS£¬²»¹ýÄã¿ÉÒÔ°ÑMSµÄ¸ñʽÊä³ö³É±ðµÄ¸ñʽ£¬È»ºóÔÙ´ò¿ª |

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