#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Cu Fe S2" GROUP 122 333 I-42d PSPGR 122 1 I -4 2 d SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.000000 0.500000 0.250000 1 0 0 0 -1 0 0 0 -1 1 0.000000 0.500000 0.250000 -1 0 0 0 1 0 0 0 -1 1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 1 1 0.000000 0.000000 0.000000 0 1 0 -1 0 0 0 0 -1 1 0.000000 0.000000 0.000000 0 -1 0 1 0 0 0 0 -1 1 0.000000 0.500000 0.250000 0 -1 0 -1 0 0 0 0 1 1 0.000000 0.500000 0.250000 0 1 0 1 0 0 0 0 1 1 0.500000 0.500000 0.500000 1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.750000 1 0 0 0 -1 0 0 0 -1 1 0.500000 0.000000 0.750000 -1 0 0 0 1 0 0 0 -1 1 0.500000 0.500000 0.500000 -1 0 0 0 -1 0 0 0 1 1 0.500000 0.500000 0.500000 0 1 0 -1 0 0 0 0 -1 1 0.500000 0.500000 0.500000 0 -1 0 1 0 0 0 0 -1 1 0.500000 0.000000 0.750000 0 -1 0 -1 0 0 0 0 1 1 0.500000 0.000000 0.750000 0 1 0 1 0 0 0 0 1 1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 -0.000000 -0.000000 -0.000000 1 0 0 0 1 0 0 0 1 LTRANSL -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 LORIENT -1 0 0 0 0 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 1.000000 LMATRIX 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 CELLP 5.289000 5.289000 10.423000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Fe Fe1 1.0000 0.000000 0.000000 0.500000 4b -4.. 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Fe1 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 0 1 0 0 0 0 0 SBOND 1 Cu S 0.00000 2.76095 0 1 1 0 0 0.250 2.000 127 127 127 2 Fe S 0.00000 2.83793 0 1 1 0 0 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Fe1 1.1000 181 113 0 181 113 0 80 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 3.85000 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 1 Fe 1.1000 181 113 0 181 113 0 80 0 0 0 0 0 0 SCENE 0.973879 0.227061 0.001700 0.000000 -0.031270 0.126697 0.991448 0.000000 0.224904 -0.965604 0.130488 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 0.942 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 0 POLYS 2 VECTS 0.389610 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 80 1 1.000 211 211 211 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 5.00000E-01 5.00000E-01 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 CONTR 0.1 -1 1 1 10 -1 2 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 0 0 0 COMPS 1 LABEL 1 12 1.000 0 PROJT 0 0.962 BKGRC 255 255 255 DPTHQ 1 -0.5000 3.5000 LIGHT0 1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 26 26 26 255 179 179 179 255 255 255 255 255 LIGHT1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT2 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT3 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 SECCL 0 TEXCL 0 ATOMM 204 204 204 255 25.600 BONDM 255 255 255 255 128.000 POLYM 255 255 255 255 128.000 SURFM 0 0 0 255 128.000 FORMM 255 255 255 255 128.000 HKLPM 255 255 255 255 128.000