#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Th1 Mn1 As1 N1" GROUP 129 416 P4'/n'm'm PSPGR 129 1 P 4/n m m SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.000000 0 -1 0 1 0 0 0 0 1 -1 0.000000 0.500000 0.000000 0 1 0 -1 0 0 0 0 1 -1 0.500000 0.000000 0.000000 1 0 0 0 -1 0 0 0 -1 1 0.000000 0.500000 0.000000 -1 0 0 0 1 0 0 0 -1 1 0.500000 0.500000 0.000000 -1 0 0 0 -1 0 0 0 1 1 0.500000 0.500000 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 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.000000 0.000000 0 1 0 -1 0 0 0 0 -1 1 0.000000 0.500000 0.000000 0 -1 0 1 0 0 0 0 -1 1 0.500000 0.000000 0.000000 -1 0 0 0 1 0 0 0 1 -1 0.000000 0.500000 0.000000 1 0 0 0 -1 0 0 0 1 -1 0.500000 0.500000 0.000000 1 0 0 0 1 0 0 0 -1 -1 0.500000 0.500000 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 -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 4.076400 4.076400 8.929800 90.000000 90.000000 90.000000 0.000200 0.000200 0.000500 0.000000 0.000000 0.000000 STRUC 1 N N1 1.0000 0.750000 0.250000 0.000000 2a -4m'2' 0.000000 0.000000 0.000000 0.00 2 As As1 1.0000 0.250000 0.250000 0.672700 2c 4'm'm 0.000000 0.000000 0.000700 0.00 3 Mn Mn1 1.0000 0.750000 0.250000 0.500000 2b -4m'2' 0.000000 0.000000 0.000000 0.00 4 Th Th1 1.0000 0.250000 0.250000 0.130100 2c 4'm'm 0.000000 0.000000 0.000400 0.00 0 0 0 0 0 0 0 THERI 1 1 N1 0.000000 2 As1 0.000000 3 Mn1 0.000000 4 Th1 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.2 1.25 -0.2 1.25 0 1.2 0 0 0 0 0 SBOND 1 Th N 0.00000 2.94649 0 0 1 0 1 0.250 2.000 127 127 127 2 Mn As 0.00000 3.00000 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 N1 0.7400 230 150 82 176 185 230 204 0 2 As1 0.9000 116 208 87 116 208 87 204 0 3 Mn1 1.3700 168 8 158 168 8 158 204 0 4 Th1 1.0000 33 48 250 37 253 120 204 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 3.40291 0 3 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 N 0.7400 230 150 82 176 185 230 204 2 As 0.9000 116 208 87 116 208 87 204 3 Mn 1.3700 168 8 158 168 8 158 204 4 Th 1.0000 33 48 250 37 253 120 204 0 0 0 0 0 0 SCENE -0.351629 0.935637 0.030670 0.000000 -0.200370 -0.107225 0.973835 0.000000 0.914445 0.336284 0.225176 0.000000 0.000000 0.000000 0.000000 1.000000 0.033 0.067 0.000 1.072 HBOND 0 2 STYLE DISPF 37753794 MODEL 0 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 1 VECTS 0.652174 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 204 1 1.000 180 180 180 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 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